In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 30 | Yes |
Popular Name: 4-[2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile 4-[2-[[4-allyl-5-(5-bromobenzofu…
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) | 5.27 | 14.15 | -12.3 | 0 | 6 | 0 | 85 | 479.359 | 7 | ↓ |