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: | 572 | |
|---|---|---|
| Name: | 2,3-dihydro-1H-indene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Indane | |
| Labels: | ||
| CAS: | 496-11-7 | |
| InChi Code: | InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.63 |
experimental value |
| 2.6916 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.1179 |
experimental value |
| 0.1555 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4052132 | US EPA CompTox Dashboard |