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:2693
Name:4-(((3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)carbonyl)amino)-N3,5-dimethylisophthalamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H16BrClN6O3/c1-9-6-10(16(22)28)7-11(18(29)23-2)15(9)25-19(30)13-8-14(20)26-27(13)17-12(21)4-3-5-24-17/h3-8H,1-2H3,(H2,22,28)(H,23,29)(H,25,30)

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 (Training (all))

nontoxic

model_AB: model_AB (Training (all))

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

ValueSource or prediction
12

experimental value