In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2010 | 21 | No |
Popular Name: 3-(4-chloro-3-nitro-phenyl)-5-phenyl-1H-1,2,4-triazole 3-(4-chloro-3-nitro-phenyl)-5-ph…
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 | 9.31 | -9.91 | 1 | 6 | 0 | 87 | 300.705 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 9.18 | -41.87 | 0 | 6 | -1 | 86 | 299.697 | 3 | ↓ |