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: | 940 | |
|---|---|---|
| Name: | 6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxythioquinox | |
| Labels: | ||
| CAS: | 2439-01-2 | |
| InChi Code: | InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.36 |
experimental value |
| 2.6397 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2032342 | US EPA CompTox Dashboard |