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: | 1425 | |
|---|---|---|
| Name: | 1,2,3-tris(propan-2-yl)naphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. tris(1-methylethyl)- | |
| Labels: | ||
| CAS: | 35860-37-8 | |
| InChi Code: | InChI=1S/C19H26/c1-12(2)17-11-15-9-7-8-10-16(15)18(13(3)4)19(17)14(5)6/h7-14H,1-6H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.745825461 |
experimental value |
| 1.0037 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |