Structure Info
- Chemspace ID
- CSMB00011531940 (Enamine MADE)
- MFCD
- MFCD16082745
- IUPAC Name
- 2-(ethanesulfonyl)butanenitrile
- Mol formula
- C6H11NO2S
- Mol weight
- 161 Da
- Catalog Number(s)
- BBV-33366460, CSC011531940, FCH4774790, LN00309988, PBMR195710
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.29
- Heavy atoms count
- 10
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.833
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011531940
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