| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 10 | No |
Popular Name: 5-Nitro-1H-pyrrole-2-carbonitrile 5-Nitro-1H-pyrrole-2-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67903-53-1 , [67903-53-1]
None
| 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) | 0.93 | 4.36 | -6.83 | 1 | 5 | 0 | 85 | 137.098 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 3.93 | -27.17 | 0 | 5 | -1 | 84 | 136.09 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.