| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 16 | Yes |
Popular Name: 4-(4-chlorobenzoyl)-1H-pyrrole-2-carbonitrile 4-(4-chlorobenzoyl)-1H-pyrrole-2…
Find On: PubMed — Wikipedia — Google
CAS Number: 338407-27-5
| 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) | 2.91 | 5.95 | -30.09 | 0 | 3 | -1 | 55 | 229.646 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 6.41 | -12.07 | 1 | 3 | 0 | 57 | 230.654 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 220 - 222 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
