Structure Info
- Chemspace ID
- CSSS00000717529 (In-Stock Screening Compounds)
- CAS
- 149353-83-3
- MFCD
- MFCD09264009
- IUPAC Name
- 2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid hydrochloride
- Mol formula
- C11H14ClNO2
- Mol weight
- 228 Da
- Catalog Number(s)
- AA001LJJ, AA74475, AR001MBB, B423665, BB4LS-EN300-173431, BBV-54460803, BD00859485, CSC000717529, CT2838, D699383, EN300-173431, JH152009, Y3127268, Z1824482483, ZB0527, ZFA35383, ZXC418375
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.95
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 49
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00000717529
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