In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 18 | No |
Popular Name: 4-Cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol 4-Cyclohexyl-5-phenyl-4H-1,2,4-t…
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CAS Numbers: , 38942-57-3
4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
4-Cyclohexyl-5-phenyl-4H-[1,2,4]triazole-3-thiol
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) | 3.47 | 9.85 | -11.62 | 1 | 3 | 0 | 34 | 259.378 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 9.7 | -48.53 | 0 | 3 | -1 | 31 | 258.37 | 2 | ↓ |