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:1224
Name:11H-benzo[b]fluorene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzo(b)fluorene
Labels:
CAS:243-17-4
InChi Code:InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.389174539

experimental value

0.853

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

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