HALOSULFURON

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UNII 8WU8U5S0UR
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 LXKOADMMGWXPJQ-UHFFFAOYSA-N
Smiles COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(=O)O)c(Cl)nn2C)n1
InChI
InChI=1S/C12H13ClN6O7S/c1-19-9(7(10(20)21)8(13)17-19)27(23,24)18-12(22)16-11-14-5(25-2)4-6(15-11)26-3/h4H,1-3H3,(H,20,21)(H2,14,15,16,18,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13ClN6O7S
Molecular Weight 420.79
AlogP 1.16
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 183.0
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Toxicity in Zea mays GSS9299 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 13.2 T/ha ) Zea mays 12.8 tons/ha
Toxicity in Zea mays GSS9299 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 13.2 T/ha ) Zea mays 12.3 tons/ha
Toxicity in Zea mays GH2684 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 15.5 T/ha ) Zea mays 15.2 tons/ha
Toxicity in Zea mays GH2684 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 15.5 T/ha ) Zea mays 15.5 tons/ha
Toxicity in Zea mays Empire (maize) assessed as reduction in marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer Zea mays 21.0 %
Toxicity in Zea mays Empire (maize) assessed as reduction in marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer Zea mays 14.0 %
Toxicity in Zea mays GH2298 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 16.9 T/ha ) Zea mays 15.7 tons/ha
Toxicity in Zea mays GH2298 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 16.9 T/ha ) Zea mays 16.4 tons/ha
Toxicity in Zea mays GH2041 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 12.2 T/ha ) Zea mays 11.3 tons/ha
Toxicity in Zea mays GH2041 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 12.2 T/ha ) Zea mays 11.8 tons/ha
Toxicity in Zea mays GH2547 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 16.7 T/ha ) Zea mays 15.7 tons/ha
Toxicity in Zea mays GH2547 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 16.7 T/ha ) Zea mays 16.2 tons/ha
Toxicity in Zea mays GG214 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 14.2 T/ha ) Zea mays 13.3 tons/ha
Toxicity in Zea mays GG214 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 14.2 T/ha ) Zea mays 13.4 tons/ha
Toxicity in Zea mays GG446 (maize) assessed as marketable yield at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 20.0 T/ha ) Zea mays 19.6 tons/ha
Toxicity in Zea mays GG446 (maize) assessed as marketable yield at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 20.0 T/ha ) Zea mays 19.3 tons/ha
Toxicity in Zea mays GSS9299 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 292 g) Zea mays 297.0 g
Toxicity in Zea mays GSS9299 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 292 g) Zea mays 301.0 g
Toxicity in Zea mays GH2684 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 340 g) Zea mays 321.0 g
Toxicity in Zea mays GH2684 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 340 g) Zea mays 316.0 g
Toxicity in Zea mays Empire (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 304 g) Zea mays 289.0 g
Toxicity in Zea mays Empire (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 304 g) Zea mays 299.0 g
Toxicity in Zea mays GH2298 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 307 g) Zea mays 308.0 g
Toxicity in Zea mays GH2298 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 307 g) Zea mays 315.0 g
Toxicity in Zea mays GH2041 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 285 g) Zea mays 267.0 g
Toxicity in Zea mays GH2041 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 285 g) Zea mays 273.0 g
Toxicity in Zea mays GH2547 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 315 g) Zea mays 312.0 g
Toxicity in Zea mays GH2547 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 315 g) Zea mays 310.0 g
Toxicity in Zea mays GG214 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 292 g) Zea mays 287.0 g
Toxicity in Zea mays GG214 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 292 g) Zea mays 293.0 g
Toxicity in Zea mays GG446 (maize) assessed as cob size at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 379 g) Zea mays 387.0 g
Toxicity in Zea mays GG446 (maize) assessed as cob size at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer (Rvb = 379 g) Zea mays 370.0 g
Toxicity in Zea mays GSS9299 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =69 cm) Zea mays 68.0 cm
Toxicity in Zea mays GSS9299 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =69 cm) Zea mays 68.0 cm
Toxicity in Zea mays GH2684 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =73 cm) Zea mays 73.0 cm
Toxicity in Zea mays GH2684 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =73 cm) Zea mays 76.0 cm
Toxicity in Zea mays Empire (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =73 cm) Zea mays 69.0 cm
Toxicity in Zea mays Empire (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =73 cm) Zea mays 69.0 cm
Toxicity in Zea mays GH2298 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 76.0 cm
Toxicity in Zea mays GH2298 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 76.0 cm
Toxicity in Zea mays GH2041 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 77.0 cm
Toxicity in Zea mays GH2041 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 76.0 cm
Toxicity in Zea mays GH2547 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 79.0 cm
Toxicity in Zea mays GH2547 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =80 cm) Zea mays 78.0 cm
Toxicity in Zea mays GG214 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =81 cm) Zea mays 75.0 cm
Toxicity in Zea mays GG446 (maize) assessed as plant height at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb = 85 cm) Zea mays 82.0 cm
Toxicity in Zea mays GG214 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb =81 cm) Zea mays 77.0 cm
Toxicity in Zea mays GG446 (maize) assessed as plant height at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 21 days (Rvb = 85 cm) Zea mays 81.0 cm
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 1.0 %
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 2.0 %
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 2.0 %
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 2.0 %
Toxicity in Zea mays GSS9299 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 1.0 %
Toxicity in Zea mays GH2684 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 1.0 %
Toxicity in Zea mays GH2684 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2684 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 5.0 %
Toxicity in Zea mays GH2684 (maize)assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 3.0 %
Toxicity in Zea mays GH2684 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 4.0 %
Toxicity in Zea mays GH2684 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 7.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 1.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 6.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 3.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 8.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 1.0 %
Toxicity in Zea mays Empire (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 4.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 4.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 6.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 2.0 %
Toxicity in Zea mays GH2298 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 3.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 2.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 1.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 2.0 %
Toxicity in Zea mays GH2041 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 1.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 0.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 0.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 2.0 %
Toxicity in Zea mays GH2547 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 1.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 1.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 1.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 0.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 3.0 %
Toxicity in Zea mays GG214 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 1.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 28 days Zea mays 0.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 0.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 14 days Zea mays 0.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 50 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 0.0 %
Toxicity in Zea mays GG446 (maize) assessed as visible injury at 25 g ai/ha applied shortly post-emergence at three to five-leaf stage using backpack sprayer measured after 7 days Zea mays 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2251588
FDA SRS 8WU8U5S0UR
PubChem 86414
SureChEMBL SCHEMBL66216
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