Structure Info
- Chemspace ID
- CSMB00011683487 (Enamine MADE)
- MFCD
- MFCD16766451
- IUPAC Name
- 1-methanesulfonylcyclohexane-1-carbonitrile
- Mol formula
- C8H13NO2S
- Mol weight
- 187 Da
- Catalog Number(s)
- 83715, 83715-0.25G, A490023847, BBV-34296187, CSC011683487, FCH4835016, JH834466, JPM2-13651
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.72
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.875
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011683487
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