| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 15 | Yes |
Popular Name: 7-Amino-4-hydroxyquinoline-3-carboxylic acid 7-Amino-4-hydroxyquinoline-3-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 85344-88-3 , 86654-06-0 , [85344-88-3]
3-Quinolinecarboxylic acid, 7-amino-1,4-dihydro-4-oxo- (9CI)
| 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) | -0.74 | 3.68 | -69.46 | 3 | 5 | -1 | 99 | 203.177 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 2.13 | -33.83 | 4 | 5 | 0 | 102 | 204.185 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 2.41 | -131.91 | 2 | 5 | -2 | 102 | 202.169 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4382089; US4404201 | IBM Patent Data |
