| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 13 | Yes |
Popular Name: 2-cyano-N-(pyridin-3-ylmethyl)acetamide 2-cyano-N-(pyridin-3-ylmethyl)ac…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 283153-85-5 , [283153-85-5]
| 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) | -0.96 | 2.21 | -16.95 | 1 | 4 | 0 | 66 | 175.191 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.96 | 2.49 | -51.18 | 2 | 4 | 1 | 67 | 176.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 50 - 52 | KeyOrganics |
| Warnings | IRRITANT | Matrix Scientific |
