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: | 1054 | |
|---|---|---|
| Name: | 2,2',4,4',6,6'-hexabromo-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexabromobiphenyl | |
| Labels: | ||
| CAS: | 36355-01-8 | |
| InChi Code: | InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.87 |
experimental value |
| 6.4424 |
Tab2.Model_2: logKoc (Training set) |