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:687
Name:tetracene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetracene
Labels:
CAS:92-24-0
InChi Code:InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
5.81

experimental value

4.9849

Tab2.Model_2: logKoc (Training set)

Links to External Resources