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: | 1237 | |
|---|---|---|
| Name: | 1-methyl-3-(propan-2-yl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: m-cymene | |
| Labels: | ||
| CAS: | 535-77-3 | |
| InChi Code: | InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.070825461 |
experimental value |
| 0.343 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2060206 | US EPA CompTox Dashboard |