DAIMURON

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UNII D9676S9U11
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 NNYRZQHKCHEXSD-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1
InChI
InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O
Molecular Weight 268.35
AlogP 3.6
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 41.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Schoenoplectiella juncoides var. Hotarui Ohwi assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 3.1 g/a measured after 3 weeks post compound treatment under green house conditions Schoenoplectiella juncoides 80.0 %
Herbicidal activity against Cyperus difformis assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 6.2 g/a measured after 3 weeks post compound treatment under green house conditions Cyperus difformis 80.0 %
Herbicidal activity against Echinochloa oryzicola assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 50 g/a measured after 3 weeks post compound treatment under green house conditions Echinochloa oryzicola 80.0 %
Phytotoxicity against directly seeded Oryza sativa (rice) seedlings assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 100 g/a measured after 3 weeks post compound treatment under green house conditions Oryza sativa 10.0 %
Phytotoxicity against transplanted Oryza sativa (rice) seedlings assessed as phytotoxic activity ratings (0- no effect to 5-complete killing rating scale) at 100 g/a measured after 3 weeks post compound treatment under green house conditions Oryza sativa 0.0 %
Safener indices, ratio of compound effect of Oryza sativa (rice) growth rate to relieving activity against bensulfuron-methyl induced injury to Oryza sativa growth rate at 10 uM Oryza sativa 66.0
Effect on Oryza sativa (rice) assessed as growth rate at 10 uM relative to control Oryza sativa 77.0 %
Relieving activity against bensulfuron-methyl induced injury to Oryza sativa (rice) assessed as growth rate at 10 uM (Rbv = 46 to 53%) Oryza sativa 79.0 %
Safener indices, ratio of compound effect of Oryza sativa (rice) growth rate to relieving activity against bensulfuron-methyl induced injury to Oryza sativa growth rate at 1 uM Oryza sativa 78.0
Relieving activity against bensulfuron-methyl induced injury to Oryza sativa (rice) assessed as growth rate at 1 uM (Rbv = 46 to 53%) Oryza sativa 88.0 %
Safener indices, ratio of compound effect of Oryza sativa (rice) growth rate to relieving activity against bensulfuron-methyl induced injury to Oryza sativa growth rate at 0.1 uM Oryza sativa 47.0
Effect on Oryza sativa (rice) assessed as growth rate at 1 uM relative to control Oryza sativa 89.0 %
Relieving activity against bensulfuron-methyl induced injury to Oryza sativa (rice) assessed as growth rate at 0.1 uM (Rbv = 46 to 53%) Oryza sativa 74.0 %
Hydrophobicity, log K of the compound None 0.487
Effect on Oryza sativa (rice) assessed as growth rate at 0.1 uM relative to control Oryza sativa 99.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2271525
FDA SRS D9676S9U11
PubChem 39238
SureChEMBL SCHEMBL65275
ZINC ZINC02006347
CONTENTS