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:1425
Name:1,2,3-tris(propan-2-yl)naphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. tris(1-methylethyl)-
Labels:
CAS:35860-37-8
InChi Code:InChI=1S/C19H26/c1-12(2)17-11-15-9-7-8-10-16(15)18(13(3)4)19(17)14(5)6/h7-14H,1-6H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.745825461

experimental value

1.0037

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