Structure Info
- Chemspace ID
- CSMB00030502445 (Enamine MADE)
- MFCD
- MFCD09739074
- IUPAC Name
- 1-(4-nitrobenzoyl)piperidine-3-carboxylic acid
- Mol formula
- C13H14N2O5
- Mol weight
- 278 Da
- Catalog Number(s)
- BB53-1022, BBV-032850, CSC030502445, CSCR00049164419, FCG86283529, Z85893788, s_188690____2991702____7312438
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.44
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 101
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00030502445
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