Structure Info
- Chemspace ID
- CSMB00048242522 (Enamine MADE)
- IUPAC Name
- 1-(4-amino-3-bromobenzoyl)-5-methylpiperidine-3-carboxylic acid
- Mol formula
- C14H17BrN2O3
- Mol weight
- 341 Da
- Catalog Number(s)
- BBV-87164812, CSC048242522, CSCR01903492879, Z3294097787, s_240690____24716706____13574442
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.55
- Heavy atoms count
- 20
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 84
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00048242522
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