In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 22nd, 2009 | 16 | Yes |
Popular Name: 7,8-Difluoro-4-hydroxyquinoline-3-carboxylicacid 7,8-Difluoro-4-hydroxyquinoline-…
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CAS Number: 228728-17-4
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) | 0.44 | 5.94 | -56.41 | 1 | 4 | -1 | 73 | 224.142 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.74 | 4.69 | -115.73 | 0 | 4 | -2 | 76 | 223.134 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 4.1 | -34.58 | 2 | 4 | 0 | 74 | 225.15 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 5.12 | -25.7 | 2 | 4 | 0 | 76 | 225.15 | 1 | ↓ |