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: | 1175 | |
|---|---|---|
| Name: | 1,4-bis(propan-2-yl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.4-bis(1-methylethyl)- | |
| Labels: | ||
| CAS: | 100-18-5 | |
| InChi Code: | InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.600825461 |
experimental value |
| 0.6319 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |