Structure Info
- Chemspace ID
- CSMB03578086596 (Enamine MADE)
- IUPAC Name
- ethyl 5-cyano-2-(2H-1,2,3-triazol-2-yl)benzoate
- Mol formula
- C12H10N4O2
- Mol weight
- 242 Da
- Catalog Number(s)
- BBV-431487682
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.51
- Heavy atoms count
- 18
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.16666666666667
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB03578086596
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