10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Data-driven machine learning of chronic toxicity of imbalanced heterogeneous pesticide data to earthworms.

Compound

ID:3181
Name:2-(4-chloro-2-((cyclopropyl((3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazol-4-yl)-carbonyl)amino)-methyl)phenyl}-propanoic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H19ClF3N3O3/c1-9(19(28)29)13-6-3-11(20)7-10(13)8-26(12-4-5-12)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,9,12,16H,4-5,8H2,1-2H3,(H,28,29)

Properties

NOEC_class: chronic toxicity class of No-Observed-Effect Concentration for earthworms i

ValueSource or prediction
toxic

experimental value

nontoxic

modelA: Model A (Training (all))

nontoxic

modelB: Model B (Validation)

NOEC: chronic toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i

ValueSource or prediction
50

experimental value