In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 14 | Yes |
Popular Name: Ethyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate Ethyl 6-oxo-2-azabicyclo[2.2.2]o…
Find On: PubMed — Wikipedia — Google
CAS Number: 3885-76-5
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) | 0.85 | 4.62 | -11.49 | 0 | 4 | 0 | 47 | 197.234 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US5147873 | IBM Patent Data |