Structure Info
- Chemspace ID
- CSMB00105125278 (Enamine MADE)
- MFCD
- MFCD07379619
- IUPAC Name
- 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid
- Mol formula
- C17H18ClN3O2
- Mol weight
- 332 Da
- Catalog Number(s)
- CSC105125278, CSC207450245, CSCR00207450245, EN300-58596, FCG71571444, Z71181703, s_270166____12240614____11618546
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.08
- Heavy atoms count
- 23
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.294
- Polar surface area (Å)
- 57
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00105125278
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