| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2012 | 12 | No |
Popular Name: methyl (2Z)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate methyl (2Z)-3-(5-amino-1H-1,2,4-…
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CAS Numbers: , 1379821-54-1
2-propenoic acid, 3-(5-amino-1H-1,2,4-triazol-3-yl)-, methyl ester, (2Z)-
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| 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) | -0.29 | 3.74 | -13.23 | 3 | 6 | 0 | 94 | 168.156 | 3 | ↓ |
| Ref Reference (pH 7) | -0.29 | 3.1 | -12.14 | 3 | 6 | 0 | 94 | 168.156 | 3 | ↓ |
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