Structure Info
- Chemspace ID
- CSMB00011212475 (Enamine MADE)
- MFCD
- MFCD16041944
- IUPAC Name
- 2-(benzenesulfonyl)propanenitrile
- Mol formula
- C9H9NO2S
- Mol weight
- 195 Da
- Catalog Number(s)
- BBV-33133208, CSC011212475, CSCR00000459724, FCH778431, PV-002521086300, Z291973244
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.37
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011212475
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