Structure Info
- Chemspace ID
- CSMB00138321759 (Enamine MADE)
- IUPAC Name
- (2S)-4-(4-cyanophenyl)-2-methylbutanoic acid
- Mol formula
- C12H13NO2
- Mol weight
- 203 Da
- Catalog Number(s)
- BBV-174072108, CSC138321759, IMED3578716974
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.9
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00138321759
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