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: | 1134 | |
|---|---|---|
| Name: | 1-chloro-9,10-dihydroanthracene-9,10-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-chloroanthraquinone | |
| Labels: | ||
| CAS: | 82-44-0 | |
| InChi Code: | InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.229174539 |
experimental value |
| 0.0325 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |