Structure Info
- Chemspace ID
- CSMB00000172706 (Enamine MADE)
- MFCD
- MFCD07536458
- IUPAC Name
- 2-ethyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
- Mol formula
- C12H12N2
- Mol weight
- 184 Da
- Catalog Number(s)
- BBV-36965993, CSC000172706, IMED55040987
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.53
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 18
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000172706
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