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:599
Name:decachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Decachlorobiphenyl
Labels:
CAS:2051-24-3
InChi Code:InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
4.97688

experimental value

5.3917

Tab2.Model_3: Global half-life index (Training set)

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.863682561

experimental value

2.7513

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

Links to External Resources