In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 27th, 2008 | 21 | No |
Popular Name: (Z)-N-allyl-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enamide (Z)-N-allyl-3-(3-chloro-5-ethoxy…
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) | 2.69 | 4.36 | -10.56 | 2 | 5 | 0 | 82 | 306.749 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 5.29 | -48.79 | 1 | 5 | -1 | 85 | 305.741 | 6 | ↓ |