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:1448.V
Name:N-demethylated spinosyn D
Description:
Labels:
CAS:
InChi Code:InChI=1S/C40H63NO10/c1-9-24-11-10-12-33(51-35-14-13-32(41)22(4)47-35)21(3)36(43)31-18-29-27(30(31)19-34(42)49-24)15-20(2)26-16-25(17-28(26)29)50-40-39(46-8)38(45-7)37(44-6)23(5)48-40/h15,18,21-30,32-33,35,37-40H,9-14,16-17,19,41H2,1-8H3/t21-,22-,23+,24+,25-,26+,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.test)