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: | 716 | |
|---|---|---|
| Name: | pyridine-3-carbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Cyanopyridine | |
| Labels: | ||
| CAS: | 100-54-9 | |
| InChi Code: | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.65 |
experimental value |
| 1.5338 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1026665 | US EPA CompTox Dashboard |