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:1199
Name:triphenyl phosphate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. triphenyl ester
Labels:
CAS:115-86-6
InChi Code:InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.759174539

experimental value

0.0771

Tab2.Model_5: Metab. biotransf. fish (Training set)

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