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: | 1170 | |
|---|---|---|
| Name: | (1R)-1-phenylethan-1-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Phenyl ethylamine | |
| Labels: | ||
| CAS: | 98-84-0 | |
| InChi Code: | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.899174539 |
experimental value |
| -0.7206 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |