Structure Info
- Chemspace ID
- CSMB00134754438 (Enamine MADE)
- MFCD
- MFCD30741257
- IUPAC Name
- ethyl 4-(4-cyanophenyl)butanoate
- Mol formula
- C13H15NO2
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-128099532, CSC134754438, FCH13623200, JH115999, LN04603802, Z1850567116, s_1458_9292184_483918, s_1458____9292184____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.86
- Heavy atoms count
- 16
- Rotatable bond count
- 6
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00134754438
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