In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 21 | No |
Popular Name: (2S,3E,5S)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-[(4-nitrophenyl)met…
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) | 0.00 | 3.56 | -51.79 | 0 | 8 | -1 | 115 | 289.223 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4206120 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.