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: | 1009 | |
|---|---|---|
| Name: | 4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oryzalin The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 19044-88-3 | |
| InChi Code: | InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.08 |
experimental value |
| 2.8317 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8024238 | US EPA CompTox Dashboard |