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:856
Name:(E)-methyl 5-chloro-2,3-dihydro-2-hydroxy-1-((((methoxycarbonyl)(4-trifluoromethoxy)phenyl)amino)carbonyl)hydrazono)-1H-indene-2-carboxylate
Description:
Labels:
CAS:526224-31-7
InChi Code:InChI=1S/C21H17ClF3N3O7/c1-33-17(29)20(32)10-11-9-12(22)3-8-15(11)16(20)26-27-18(30)28(19(31)34-2)13-4-6-14(7-5-13)35-21(23,24)25/h3-9,32H,10H2,1-2H3,(H,27,30)/b26-16-/t20-/m0/s1

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
50.0

experimental value