10967/258 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Pesticide effect on earthworm lethality via interpretable machine learning. J. Hazard Mater. 2023, 461, 132577

Compound

ID:2375.T
Name:3,5-dichloro-4-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)propoxy)phenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H12Cl2F3NO3/c16-11-6-10(22)7-12(17)14(11)24-5-1-4-23-13-3-2-9(8-21-13)15(18,19)20/h2-3,6-8,22H,1,4-5H2

Properties

toxicity_class: Acute toxicity to earthworm [mg/kg] i

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.train)

toxic

rf: Random Forest (toxicity_class.oob)