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Synonyms
UNII 570RAC03NF
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key KIEDNEWSYUYDSN-UHFFFAOYSA-N
Smiles CC1(C)CON(Cc2ccccc2Cl)C1=O
InChI
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14ClNO2
Molecular Weight 239.7
AlogP 2.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 10.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence relative to control Phaseolus vulgaris 1.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence relative to control Phaseolus vulgaris 4.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 4.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as change in seed moisture content at 1116 to 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting relative to control Phaseolus vulgaris None
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.3 tons/ha) Phaseolus vulgaris 2.5 tons/ha
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.3 tons/ha) Phaseolus vulgaris 2.6 tons/ha
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3 tons/ha) Phaseolus vulgaris 3.2 tons/ha
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3 tons/ha) Phaseolus vulgaris 3.1 tons/ha
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.1 tons/ha) Phaseolus vulgaris 3.0 tons/ha
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.1 tons/ha) Phaseolus vulgaris 3.1 tons/ha
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.4 tons/ha) Phaseolus vulgaris 3.2 tons/ha
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.4 tons/ha) Phaseolus vulgaris 3.4 tons/ha
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.3 tons/ha) Phaseolus vulgaris 2.3 tons/ha
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.3 tons/ha) Phaseolus vulgaris 2.3 tons/ha
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.1 tons/ha) Phaseolus vulgaris 3.0 tons/ha
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.1 tons/ha) Phaseolus vulgaris 3.2 tons/ha
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.5 tons/ha) Phaseolus vulgaris 2.7 tons/ha
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 2.5 tons/ha) Phaseolus vulgaris 2.6 tons/ha
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as yield at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.6 tons/ha) Phaseolus vulgaris 3.3 tons/ha
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as yield at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 3.6 tons/ha) Phaseolus vulgaris 3.3 tons/ha
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 162 g/m) Phaseolus vulgaris 130.0 g/m
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 162 g/m) Phaseolus vulgaris 160.0 g/m
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 175 g/m) Phaseolus vulgaris 174.0 g/m
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 175 g/m) Phaseolus vulgaris 154.0 g/m
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 168 g/m) Phaseolus vulgaris 146.0 g/m
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 168 g/m) Phaseolus vulgaris 166.0 g/m
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 188 g/m) Phaseolus vulgaris 189.0 g/m
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 188 g/m) Phaseolus vulgaris 168.0 g/m
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 145 g/m) Phaseolus vulgaris 116.0 g/m
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 145 g/m) Phaseolus vulgaris 142.0 g/m
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 161 g/m) Phaseolus vulgaris 150.0 g/m
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 161 g/m) Phaseolus vulgaris 137.0 g/m
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 149 g/m) Phaseolus vulgaris 143.0 g/m
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 149 g/m) Phaseolus vulgaris 139.0 g/m
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as shoot dry weight at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 165 g/m) Phaseolus vulgaris 150.0 g/m
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as shoot dry weight at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 42 post-emergence (Rvb = 165 g/m) Phaseolus vulgaris 167.0 g/m
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 32.0 cm
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 36.0 cm
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 36 cm) Phaseolus vulgaris 32.0 cm
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 36 cm) Phaseolus vulgaris 34.0 cm
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 32.0 cm
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 36.0 cm
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 34.0 cm
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 38 cm) Phaseolus vulgaris 37.0 cm
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 33.0 cm
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 35.0 cm
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 32.0 cm
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 35.0 cm
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 35.0 cm
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 37 cm) Phaseolus vulgaris 35.0 cm
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as plant height at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 34 cm) Phaseolus vulgaris 30.0 cm
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as plant height at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 28 post-emergence (Rvb = 34 cm) Phaseolus vulgaris 34.0 cm
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 10.0 %
Phytotoxicity against Phaseolus vulgaris (yellow eye beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 6.0 %
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 6.0 %
Phytotoxicity against Phaseolus vulgaris (white beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 2.0 %
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 11.0 %
Phytotoxicity against Phaseolus vulgaris (pinto beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 4.0 %
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 11.0 %
Phytotoxicity against Phaseolus vulgaris (otebo beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 3.0 %
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 10.0 %
Phytotoxicity against Phaseolus vulgaris (kidney beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 5.0 %
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 14.0 %
Phytotoxicity against Phaseolus vulgaris (cranberry beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 6.0 %
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 8.0 %
Phytotoxicity against Phaseolus vulgaris (brown beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 3.0 %
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 13.0 %
Phytotoxicity against Phaseolus vulgaris (black beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 14 post-emergence relative to control Phaseolus vulgaris 3.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 2232 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 7 post-emergence relative to control Phaseolus vulgaris 11.0 %
Phytotoxicity against Phaseolus vulgaris (dry beans) assessed as visual crop injury at 1116 g a.i./ha applied pre-emergence 1 to 2 days post-planting measured on day 7 post-emergence relative to control Phaseolus vulgaris 5.0 %
Increase in Phaseolus vulgaris (otebo bean) yield at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days (Rvb = 3.8 t/ha) Phaseolus vulgaris 4.1 tons/ha
Increase in Phaseolus vulgaris (otebo bean) yield at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days (Rvb = 3.8 t/ha) Phaseolus vulgaris 4.5 tons/ha
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as change in moisture content at 1000 to 2000 g ai/ha applied as spray during preemergence treatment for 1 to 2 days Phaseolus vulgaris None
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as shoot dry weight at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 42 days post emergence (Rvb = 164 g) Phaseolus vulgaris 123.0 g
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as shoot dry weight at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 42 days post emergence (Rvb = 164 g) Phaseolus vulgaris 143.0 g
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 28 days post emergence relative to untreated control Phaseolus vulgaris 9.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 28 days post emergence relative to untreated control Phaseolus vulgaris 2.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 14 days post emergence relative to untreated control Phaseolus vulgaris 12.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 14 days post emergence relative to untreated control Phaseolus vulgaris 5.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 7 days post emergence relative to untreated control Phaseolus vulgaris 13.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as visual injury at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 7 days post emergence relative to untreated control Phaseolus vulgaris 5.0 %
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as plant height at 2000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 28 days post emergence (Rvb = 29 cm) Phaseolus vulgaris 26.0 cm
Phytotoxicity in Phaseolus vulgaris (otebo bean) assessed as plant height at 1000 g ai/ha applied as spray during pre-emergence treatment for 1 to 2 days measured 28 days post emergence (Rvb = 29 cm) Phaseolus vulgaris 28.0 cm

Cross References

Resources Reference
ChEMBL CHEMBL1076356
FDA SRS 570RAC03NF
PubChem 54778
SureChEMBL SCHEMBL23519
ZINC ZINC00900785
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