| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 15 | Yes |
Popular Name: 4-methoxy-2-(1H-pyrrol-1-yl)nicotinonitrile 4-methoxy-2-(1H-pyrrol-1-yl)nico…
Find On: PubMed — Wikipedia — Google
CAS Number: 338412-19-4
| 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) | 1.41 | 5.93 | -10.75 | 0 | 4 | 0 | 51 | 199.213 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 6.18 | -44.62 | 1 | 4 | 1 | 52 | 200.221 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 108 - 111 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
