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: | 690 | |
|---|---|---|
| Name: | 1-(naphthalen-2-yl)ethan-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Acetonaphthalene | |
| Labels: | ||
| CAS: | 93-08-3 | |
| InChi Code: | InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.93 |
experimental value |
| 2.6459 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2041389 | US EPA CompTox Dashboard |