Structure Info
- Chemspace ID
- CSMB03567380883 (Enamine MADE)
- IUPAC Name
- methyl 5-cyano-2-(1H-1,2,3-triazol-1-yl)benzoate
- Mol formula
- C11H8N4O2
- Mol weight
- 228 Da
- Catalog Number(s)
- BBV-412951139
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.54
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.09
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB03567380883
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