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_64
Name:Pirimicarb
Description:
Labels:
CAS:23103-98-2
InChi Code:InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3

Properties

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

ValueSource or prediction
-1.1575

experimental value

-1.34556

Eq.3: Model for pesticides (Training set)

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