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: | 901 | |
|---|---|---|
| Name: | 2,4-dichloro-1-(4-nitrophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Nitrofen The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 1836-75-5 | |
| InChi Code: | InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.65 |
experimental value |
| 3.8055 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020970 | US EPA CompTox Dashboard |