Structure Info
- Chemspace ID
- CSMB00010022211 (Enamine MADE)
- CAS
- 1270418-08-0
- MFCD
- MFCD18704095
- IUPAC Name
- 4-amino-4-(4-cyanophenyl)butanoic acid
- Mol formula
- C11H12N2O2
- Mol weight
- 204 Da
- Catalog Number(s)
- BBV-45122633, CSC010022211, EN300-1856475, FCH1697633, IMED3243553906
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.25
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00010022211
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