Structure Info
- Chemspace ID
- CSMB03567431067 (Enamine MADE)
- IUPAC Name
- 8-amino-6-cyano-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
- Mol formula
- C11H10N2O4
- Mol weight
- 234 Da
- Catalog Number(s)
- BBV-413058590
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.88
- Heavy atoms count
- 17
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 106
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03567431067
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