Structure Info
- Chemspace ID
- CSMB20534688031 (Enamine MADE)
- IUPAC Name
- (1r,4r)-4-(chloromethyl)-1-ethynyl-2-methyl-2-azabicyclo[2.1.1]hexane
- Mol formula
- C9H12ClN
- Mol weight
- 170 Da
- Catalog Number(s)
- BBV-1386291346
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.15
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.777
- Polar surface area (Å)
- 3
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20534688031
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