Structure Info
- Chemspace ID
- CSMB20474961641 (Enamine MADE)
- IUPAC Name
- 2-amino-3-(2-{2-azabicyclo[2.1.1]hexan-1-yl}ethynyl)benzoic acid
- Mol formula
- C14H14N2O2
- Mol weight
- 242 Da
- Catalog Number(s)
- BBV-1324409858
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.71
- Heavy atoms count
- 18
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.357
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB20474961641
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