| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2005 | 24 | Yes |
Popular Name: Quinine [130-95-0] Quinine [130-95-0]
Find On: PubMed — Wikipedia — Google
CAS Number: 56-54-2
(S)-(+)-[(2R,4S,5R)-1-Aza-5-vinylbicyclo[2.2.2]oct-2-yl](6-methoxyquinolin-4-yl)methanol
| 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) | 3.06 | -1.24 | -42.58 | 2 | 4 | 1 | 46 | 325.432 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | -1.14 | -93.2 | 3 | 4 | 2 | 48 | 326.44 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 173-175 °C(lit.) | Indofine |
| MP | 175o C (dec.) | Indofine |
