Structure Info
- Chemspace ID
- CSMB03551037596 (Enamine MADE)
- IUPAC Name
- 2-(but-2-yne-1-sulfonyl)propanenitrile
- Mol formula
- C7H9NO2S
- Mol weight
- 171 Da
- Catalog Number(s)
- BBV-392346933
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.48
- Heavy atoms count
- 11
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.571
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB03551037596
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