| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 14 | No |
Popular Name: 8-Hydroxy-5-nitroquinoline 8-Hydroxy-5-nitroquinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4008-48-4 , [4008-48-4]
"8-Hydroxy-5-nitroquinoline, 96%"
4008-48-4; D07245; Nitroxoline (INN); Nitroxoline (TN)
5-Nitroks;5-Nitrox;5-Nitroxine;5-NOK;Nitroxolina [inn-spanish];Nitroxolinum [inn-latin]
8-Hydroxy-5-nitroquinoline 97%
| 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) | 1.89 | 3.46 | -38.7 | 0 | 5 | -1 | 82 | 189.15 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 2.69 | -9.24 | 1 | 5 | 0 | 79 | 190.158 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 176.3 - 178.1 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 177-182? | Alfa-Aesar |
| Melting_Point | 177-182° | Alfa-Aesar |
| MP | 180 | TCI |
| MP | 181 - 183 | Enamine Building Blocks |
| MP | 181-183° | Oakwood Chemical |
| MP | 181...183 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 2.73e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | 99% | APIChem |
| Therapy | antibacterial | SMDC Pharmakon |
No pre-computed analogs available. Try a structural similarity search.