In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 9th, 2006 | 24 | No |
Popular Name: 2-[4-[3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenoxy]acetonitrile 2-[4-[3-(3-chloro-4-hydroxy-5-me…
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) | 3.83 | 6.94 | -15.06 | 1 | 5 | 0 | 80 | 343.766 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 7.87 | -49.85 | 0 | 5 | -1 | 82 | 342.758 | 6 | ↓ |