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: | 861 | |
|---|---|---|
| Name: | anthracene-9-carboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Anthracene-9-carboxylic acid | |
| Labels: | ||
| CAS: | 723-62-6 | |
| InChi Code: | InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.69 |
experimental value |
| 3.143 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7049427 | US EPA CompTox Dashboard |