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:2692
Name:2-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-3,8-dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H12BrClN6O/c1-10-6-11(9-22)7-12-16(10)24-18(26(2)19(12)28)14-8-15(20)25-27(14)17-13(21)4-3-5-23-17/h3-8H,1-2H3

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Test)

nontoxic

modelB: Model B (Test)

nontoxic

model_AB: model_AB (Test)

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

ValueSource or prediction
500

experimental value