Structure Info
- Chemspace ID
- CSMB20450275844 (Enamine MADE)
- IUPAC Name
- 8-amino-9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
- Mol formula
- C10H10ClNO4
- Mol weight
- 244 Da
- Catalog Number(s)
- BBV-1298078935
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.63
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB20450275844
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