Structure Info
- Chemspace ID
- CSMB00000172213 (Enamine MADE)
- MFCD
- MFCD01051241
- IUPAC Name
- 2-ethyl-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
- Mol formula
- C12H14N2
- Mol weight
- 186 Da
- Catalog Number(s)
- 5550783, BBV-38716060, CSC000172213, OSSK_578815, STK037352
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.04
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- 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
- CSMB00000172213
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