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: | 1335 | |
|---|---|---|
| Name: | (1R,4R)-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4-tetrahydro-1.4-dimethyl naphthalene | |
| Labels: | ||
| CAS: | 4175-54-6 | |
| InChi Code: | InChI=1S/C12H16/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.720825461 |
experimental value |
| 0.6188 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |