Structure Info
- Chemspace ID
- CSMB20471713006 (Enamine MADE)
- IUPAC Name
- 8-isocyano-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
- Mol formula
- C11H9NO4
- Mol weight
- 219 Da
- Catalog Number(s)
- BBV-1321075448
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.07
- Heavy atoms count
- 16
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20471713006
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