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: | 731 | |
|---|---|---|
| Name: | butylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-Buthylbenzene | |
| Labels: | ||
| CAS: | 104-51-8 | |
| InChi Code: | InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.4 |
experimental value |
| 2.9737 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022472 | US EPA CompTox Dashboard |