| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 13 | Yes |
Popular Name: 2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-oxo-1,2,5,6,7,8-hexahydro-3-qu…
Find On: PubMed — Wikipedia — Google
CAS Number: 4241-13-8
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.46 | 4.23 | -14.24 | 1 | 3 | 0 | 57 | 174.203 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 2.28 | -46.29 | 0 | 3 | -1 | 60 | 173.195 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 246 - 248 | Enamine Building Blocks |
| MP | 246...248 | Enamine Building Blocks |
| melting_point | 250 - 253 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
