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: | 697 | |
|---|---|---|
| Name: | 5-(prop-2-en-1-yl)-2H-1,3-benzodioxole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Safrole | |
| Labels: | ||
| CAS: | 94-59-7 | |
| InChi Code: | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.83 |
experimental value |
| 2.757 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021254 | US EPA CompTox Dashboard |