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:3048
Name:(2S,4S-2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-carboxylic acid
Description:
Labels:
CAS:119725-91-6
InChi Code:InChI=1S/C13H11Cl2N3O4/c14-8-1-2-9(10(15)3-8)13(5-18-7-16-6-17-18)21-4-11(22-13)12(19)20/h1-3,6-7,11H,4-5H2,(H,19,20)/t11?,13-/m1/s1

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)

toxic

modelB: Model B (Test)

toxic

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
556

experimental value