Structure Info
- Chemspace ID
- CSMB03559851640 (Enamine MADE)
- IUPAC Name
- 7-amino-5-cyano-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
- Mol formula
- C10H8N2O4
- Mol weight
- 220 Da
- Catalog Number(s)
- BBV-403741753
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.82
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 106
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03559851640
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