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: | 476 | |
|---|---|---|
| Name: | propylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Propylbenzene | |
| Labels: | ||
| CAS: | 103-65-1 | |
| InChi Code: | InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.87 |
experimental value |
| 2.7945 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.22223 |
experimental value |
| 0.1316 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3042219 | US EPA CompTox Dashboard |