| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2009 | 11 | No |
Popular Name: 1-Piperidineacetonitrile, 4-(hydroxymethyl)- (9CI) 1-Piperidineacetonitrile, 4-(hyd…
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CAS Number: 654663-53-3
| 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) | 0.27 | 0.09 | -8.33 | 1 | 3 | 0 | 47 | 154.213 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 2.36 | -47.17 | 2 | 3 | 1 | 48 | 155.221 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000047212A1 | IBM Patent Data |
