Structure Info
- Chemspace ID
- CSMB00011527376 (Enamine MADE)
- MFCD
- MFCD16150519
- IUPAC Name
- 3-(1-cyanoethanesulfonyl)propanoic acid
- Mol formula
- C6H9NO4S
- Mol weight
- 191 Da
- Catalog Number(s)
- BBV-33358582, CSC011527376, FCH8262702
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.87
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.666
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011527376
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