| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 9 | Yes |
Popular Name: rac 1-Methyl-piperidine-2-carbonitrile rac 1-Methyl-piperidine-2-carbon…
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CAS Number: 18747-95-0
| 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) | 1.02 | 2.5 | -4.56 | 0 | 2 | 0 | 27 | 124.187 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 4.81 | -38.44 | 1 | 2 | 1 | 28 | 125.195 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >96 | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.