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:1125
Name:triethyl phosphate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. triethyl ester
Labels:
CAS:78-40-0
InChi Code:InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.094174539

experimental value

-1.4054

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

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