Structure Info
- Chemspace ID
- CSMB00000746389 (Enamine MADE)
- CAS
- 1235439-09-4
- MFCD
- MFCD14705675
- IUPAC Name
- 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid hydrochloride
- Mol formula
- C17H19Cl2N3O2
- Mol weight
- 368 Da
- Catalog Number(s)
- A1113309, AR019YVN, AV43623, BB4LS-EN300-57227, BD01066562, C376318, CS-0252009, CSC000746389, EN300-57227, G44046, HY-W192003, KZB43909, Y3172119
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.08
- Heavy atoms count
- 24
- 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
- CSMB00000746389
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