| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 23 | No |
Popular Name: (4-nitrophenyl)-(1-oxido-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium-5-yl)methanone (4-nitrophenyl)-(1-oxido-6,7,8,9…
| 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) | 1.37 | 8.79 | -19.52 | 0 | 7 | 0 | 92 | 313.313 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0804440A1; US5532235 | IBM Patent Data |
