In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2011 | 21 | No |
Popular Name: (Z)-3-(4-bromophenyl)-2-cyano-N-(o-tolyl)prop-2-enamide (Z)-3-(4-bromophenyl)-2-cyano-N-…
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) | 4.40 | 9.58 | -7.78 | 1 | 3 | 0 | 53 | 341.208 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.58 | 8.15 | -37.68 | 0 | 3 | -1 | 59 | 340.2 | 3 | ↓ |