Structure Info
- Chemspace ID
- CSMB03444462024 (Enamine MADE)
- IUPAC Name
- 2-bromo-1-(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
- Mol formula
- C11H12BrNO3
- Mol weight
- 286 Da
- Catalog Number(s)
- BBV-360598210
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.3
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03444462024
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