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:2695.T
Name:2-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-3,8-dimethyl-4-oxo-3,4-dihydroquinazoline-6-carboxamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H14BrClN6O2/c1-9-6-10(16(22)28)7-11-15(9)24-18(26(2)19(11)29)13-8-14(20)25-27(13)17-12(21)4-3-5-23-17/h3-8H,1-2H3,(H2,22,28)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.train)

nontoxic

rf: Random Forest (toxicity_class.oob)