| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2009 | 10 | No |
Popular Name: 1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI) 1H-Azepine-1-carboxaldehyde, hex…
Find On: PubMed — Wikipedia — Google
CAS Number: 65848-45-5
| 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) | 0.46 | 4.65 | -18.08 | 0 | 3 | 0 | 37 | 141.17 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0407584A1; EP0407584B1 | IBM Patent Data |
