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:1735
Name:2-((2-ethyl-6-methylphenyl) (isopropoxymethyl)amino)-2-oxoethane sulfonic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H23NO5S/c1-5-13-8-6-7-12(4)15(13)16(10-21-11(2)3)14(17)9-22(18,19)20/h6-8,11H,5,9-10H2,1-4H3,(H,18,19,20)

Properties

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

ValueSource or prediction
toxic

experimental value

toxic

modelA: Model A (Validation)

toxic

modelB: Model B (Validation)

toxic

model_AB: model_AB (Validation)

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

ValueSource or prediction
3.5

experimental value