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:1248
Name:1-phenylnaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Phenyl naphthalene
Labels:
CAS:605-02-7
InChi Code:InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.720825461

experimental value

0.7861

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

Links to External Resources