| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2009 | 12 | Yes |
Popular Name: (1R,3S,4R)-rel-Ethyl 1-azabicyclo[2.2.1]heptane-3-carboxylate (1R,3S,4R)-rel-Ethyl 1-azabicycl…
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CAS Number: 133366-43-5
| 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) | 1.31 | 5.13 | -35.99 | 1 | 3 | 1 | 31 | 170.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 2.25 | -4.99 | 0 | 3 | 0 | 30 | 169.224 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5104989; US5310911 | IBM Patent Data |
