10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.

Compound

ID:2495
Name:2-(3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl)-6-chloro-8-methyl-4(3H)-quinazoline
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H10BrCl2N5O/c1-8-5-9(19)6-10-14(8)22-15(23-17(10)26)12-7-13(18)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,22,23,26)

Properties

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

ValueSource or prediction
1000

experimental value