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: | 460 | |
|---|---|---|
| Name: | 1,2,4,5-tetramethylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2,4,5-Tetramethylbenzene | |
| Labels: | ||
| CAS: | 95-93-2 | |
| InChi Code: | InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.12 |
experimental value |
| 3.1387 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.22223 |
experimental value |
| 0.1536 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1029124 | US EPA CompTox Dashboard |