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: | 662 | |
|---|---|---|
| Name: | 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Amino-2-methyl-9,10-Anthracenedione | |
| Labels: | ||
| CAS: | 82-28-0 | |
| InChi Code: | InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.9 |
experimental value |
| 2.6381 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020057 | US EPA CompTox Dashboard |