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: | 705 | |
|---|---|---|
| Name: | (1R)-1-phenylethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: alpha-Methylbenzyl alcohol | |
| Labels: | ||
| CAS: | 98-85-1 | |
| InChi Code: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.5 |
experimental value |
| 1.9368 |
Tab2.Model_2: logKoc (Training set) |