In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 21 | No |
Popular Name: 5-(3-Chloro-phenyl)-3-(2-nitro-phenyl)-1H-[1,2,4]triazole 5-(3-Chloro-phenyl)-3-(2-nitro-p…
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) | 4.19 | 9.12 | -16.31 | 1 | 6 | 0 | 87 | 300.705 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 8.83 | -55.44 | 0 | 6 | -1 | 86 | 299.697 | 3 | ↓ |