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: | 689 | |
|---|---|---|
| Name: | 1-{[1,1'-biphenyl]-4-yl}ethan-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Acetylbiphenyl | |
| Labels: | ||
| CAS: | 92-91-1 | |
| InChi Code: | InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.22 |
experimental value |
| 3.096 |
Tab2.Model_2: logKoc (Training set) |