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:1189
Name:3-chloroprop-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Propene. 3-chloro-
Labels:
CAS:107-05-1
InChi Code:InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.929174539

experimental value

-0.9978

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

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