Structure Info
- Chemspace ID
- CSCS00016253953 (Synthesis)
- MFCD
- MFCD28135622
- IUPAC Name
- (1S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide
- Mol formula
- C16H18BrNO4
- Mol weight
- 368 Da
- Catalog Number(s)
- 29030, CSC016253953
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.96
- Heavy atoms count
- 22
- Rotatable bond count
- 2
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 5
- Zoom the structure
- CSCS00016253953
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