Structure Info
- Chemspace ID
- CSMB00053545176 (Enamine MADE)
- IUPAC Name
- 1-(1-bromoethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
- Mol formula
- C11H14BrNO2
- Mol weight
- 272 Da
- Catalog Number(s)
- BBV-105844847, CSC053545176, FCH7641854
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.12
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.454
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB00053545176
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