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: | 854 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentafluoro-6-methanesulfonylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentafluorophenyl methyl sufone | |
| Labels: | ||
| CAS: | 651-85-4 | |
| InChi Code: | InChI=1S/C7H3F5O2S/c1-15(13,14)7-5(11)3(9)2(8)4(10)6(7)12/h1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.46 |
experimental value |
| 1.8627 |
Tab2.Model_2: logKoc (Training set) |