| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 10 | No |
Popular Name: 4-Nitropyridin-3-ol 4-Nitropyridin-3-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13505-06-1 , 15590-90-6 , [13505-06-1]
| 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) | 0.53 | 2.43 | -38 | 0 | 5 | -1 | 82 | 139.09 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 12.48 | -47.35 | 1 | 5 | 1 | 46 | 398.571 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 1.74 | -46.98 | 2 | 5 | 1 | 80 | 141.106 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 2.77 | -37.45 | 1 | 5 | 0 | 83 | 140.098 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.