Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.
Compound
| ID: | 11 | |
|---|---|---|
| Name: | 1-naphthyl N-methylcarbamate | |
| Description: | Original non-IUPAC name was: 1-naphthalenol, methylcarbamate | |
| Labels: | Validation | |
| CAS: | 63-25-2 | |
| InChi Code: | InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.05 |
experimental value |
| 0.545 |
Eq1: Full model (Training set) |
| 0.442 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020247 | US EPA CompTox Dashboard |