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: | 1145 | |
|---|---|---|
| Name: | (1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-cyclohexene-1.2-dicarboxylic acid | |
| Labels: | ||
| CAS: | 88-98-2 | |
| InChi Code: | InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)/t5-,6+ |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.569174539 |
experimental value |
| -1.2859 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |