Structure Info
- Chemspace ID
- CSMB00137465478 (Enamine MADE)
- IUPAC Name
- 4-(4-cyanophenyl)-2,2-dimethylbutanoic acid
- Mol formula
- C13H15NO2
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-174873135, CSC137465478, IMED3582733129
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.46
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00137465478
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