Structure Info
- Chemspace ID
- CSMB03451700011 (Enamine MADE)
- IUPAC Name
- 2-[(2E)-3-bromo-2-methylprop-2-en-1-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
- Mol formula
- C13H16BrNO2
- Mol weight
- 298 Da
- Catalog Number(s)
- BBV-363978990, Z4954296554
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.8
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03451700011
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