In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 10 | Yes |
Popular Name: 1,4-Benzenediol, 2-chloro-5-fluoro- 1,4-Benzenediol, 2-chloro-5-fluoro-
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CAS Number: 186589-80-0
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) | 2.20 | -0.61 | -5.09 | 2 | 2 | 0 | 40 | 162.547 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 0.15 | -39.35 | 1 | 2 | -1 | 43 | 161.539 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 0.14 | -35.65 | 1 | 2 | -1 | 43 | 161.539 | 0 | ↓ |