Structure Info
- Chemspace ID
- CSMB00000746942 (Enamine MADE)
- CAS
- 247117-88-0
- MFCD
- MFCD14705693
- IUPAC Name
- 2-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid
- Mol formula
- C18H21N3O3
- Mol weight
- 327 Da
- Catalog Number(s)
- BD01092917, CSC000746942, EN300-58745, Z128135288, s_270344____11656902____20615630
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.15
- Heavy atoms count
- 24
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000746942
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