Structure Info
- Chemspace ID
- CSMB00135129089 (Enamine MADE)
- IUPAC Name
- 8-isocyanocubane-1-carboxylic acid
- Mol formula
- C10H7NO2
- Mol weight
- 173 Da
- Catalog Number(s)
- BBV-136598639, CSC135129089, FCH19870053
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.59
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.8
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00135129089
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