Structure Info
- Chemspace ID
- CSMB00012938510 (Enamine MADE)
- MFCD
- MFCD24121720
- IUPAC Name
- 4-oxo-3-azatricyclo[6.2.1.0²,⁷]undeca-2(7),5-diene-5-carbonitrile
- Mol formula
- C11H10N2O
- Mol weight
- 186 Da
- Catalog Number(s)
- BBV-322721770, BBV-44687053, CSC012938510
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.52
- Heavy atoms count
- 14
- Rotatable bond count
- 0
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.454
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00012938510
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