10967/198 - QDB Compounds

QsarDB Repository

Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.

Compound

ID:Tr_40
Name:Phorate
Description:
Labels:
CAS:298-02-2
InChi Code:InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

Properties

pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]

ValueSource or prediction
-0.156

experimental value

-0.07343

Eq.3: Model for pesticides (Training set)

Links to External Resources