Structure Info
- Chemspace ID
- CSMB17473103178 (Enamine MADE)
- IUPAC Name
- 4-[(5-bromo-1-methylcyclohex-3-en-1-yl)methyl]aniline
- Mol formula
- C14H18BrN
- Mol weight
- 280 Da
- Catalog Number(s)
- BBV-1237831463
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.95
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB17473103178
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