In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 16 | No |
Popular Name: 2-{[(4-fluorophenyl)imino]methyl}phenol 2-{[(4-fluorophenyl)imino]methyl…
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CAS Numbers: 3382-62-5 , [252573-77-6]
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) | 3.57 | 4.27 | -5.4 | 1 | 2 | 0 | 33 | 215.227 | 2 | ↓ |
Ref Reference (pH 7) | 3.57 | 5.47 | -6.23 | 1 | 2 | 0 | 33 | 215.227 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 6.25 | -44.94 | 0 | 2 | -1 | 35 | 214.219 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 5.04 | -36.83 | 0 | 2 | -1 | 35 | 214.219 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 4.7 | -34.92 | 2 | 2 | 1 | 34 | 216.235 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 6.44 | -36.31 | 2 | 2 | 1 | 34 | 216.235 | 2 | ↓ |