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: | 747 | |
|---|---|---|
| Name: | dodecan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Dodecanol | |
| Labels: | ||
| CAS: | 112-53-8 | |
| InChi Code: | InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.52 |
experimental value |
| 2.559 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5026918 | US EPA CompTox Dashboard |