10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1760
Name:(diphenylphosphoroso)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Triphenylphosphine oxide
Labels:
CAS:791-28-6
InChi Code:InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
3.72

experimental value

4.83

Tab2.Model_1: P. promelas LC50 (Training set)