Structure Info
- Chemspace ID
- CSMB00129014825 (Enamine MADE)
- IUPAC Name
- 3-bromo-5-[(3-ethynylazetidin-1-yl)methyl]benzoic acid
- Mol formula
- C13H12BrNO2
- Mol weight
- 294 Da
- Catalog Number(s)
- BBV-130434403, CSC129014825, s_274370_25867138_15785926, s_274370____25867138____15785926
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.23
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.307
- Polar surface area (Å)
- 41
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00129014825
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