| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 11 | Yes |
Popular Name: 2,6-Methano-1H-pyrrolizine-1-carbonitrile, hexahydro-, (1alpha,2beta,6beta,7aalpha)- (9CI) 2,6-Methano-1H-pyrrolizine-1-car…
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CAS Number: 158225-90-2
| 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) | 2.25 | 4.61 | -44.51 | 1 | 2 | 1 | 28 | 149.217 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 1.98 | -5.16 | 0 | 2 | 0 | 27 | 148.209 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0674639A1; EP0674639B1; US5354757; US5446049; US5521193; US5534521 | IBM Patent Data |
