Structure Info
- Chemspace ID
- CSMB03551025961 (Enamine MADE)
- IUPAC Name
- (2Z)-1-(4-bromopyridin-3-yl)but-2-en-1-one
- Mol formula
- C9H8BrNO
- Mol weight
- 226 Da
- Catalog Number(s)
- BBV-392342357
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.22
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.11111111111111
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB03551025961
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