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_41
Name:Phosmet
Description:
Labels:
CAS:732-11-6
InChi Code:InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

Properties

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

ValueSource or prediction
-0.1983

experimental value

-0.38742

Eq.3: Model for pesticides (Training set)

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