| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 14 | Yes |
Popular Name: 5-Phenyl-1H-1,2,4-triazole-3-carboxylic acid 5-Phenyl-1H-1,2,4-triazole-3-car…
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CAS Numbers: 7200-46-6 , [7200-46-6]
1H-1,2,4-triazole-3-carboxylic acid, 5-phenyl-
| 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) | 1.19 | 5.11 | -54.75 | 1 | 5 | -1 | 82 | 188.166 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.99 | -123.56 | 0 | 5 | -2 | 80 | 187.158 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
