In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 30 | No |
Popular Name: 4-nitrobenzoic-acid-[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]-ester 4-nitrobenzoic-acid-[(5S)-11-car…
None
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) | 4.67 | 11.37 | -12.7 | 2 | 8 | 0 | 118 | 403.394 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0751129A1; EP0751129B1; US5753646 | IBM Patent Data |