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: | 671 | |
|---|---|---|
| Name: | 1,3-dihydro-2-benzofuran-1,3-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3-Isobenzofurandione | |
| Labels: | ||
| CAS: | 85-44-9 | |
| InChi Code: | InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.56 |
experimental value |
| 1.352 |
Tab2.Model_2: logKoc (Training set) |