Structure Info
- Chemspace ID
- CSMB06358945644 (Enamine MADE)
- IUPAC Name
- 2-(pent-2-yne-1-sulfonyl)propanenitrile
- Mol formula
- C8H11NO2S
- Mol weight
- 185 Da
- Catalog Number(s)
- BBV-564471947
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.92
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.625
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06358945644
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