| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 11 | Yes |
Popular Name: 6-(cyanomethyl)nicotinonitrile 6-(cyanomethyl)nicotinonitrile
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CAS Number: 1000516-33-5
| 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) | 0.49 | 4.26 | -14.29 | 0 | 3 | 0 | 60 | 143.149 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 78 - 80 | KeyOrganics |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |