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:1202
Name:N-ethylnaphthalen-1-amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-naphthalenamine. n-ethyl-
Labels:
CAS:118-44-5
InChi Code:InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.430825461

experimental value

-0.0779

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

Links to External Resources