Structure Info
- Chemspace ID
- CSMB06820472665 (Enamine MADE)
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-chloro-3,3-dimethylbutanoate
- Mol formula
- C14H14ClNO4
- Mol weight
- 296 Da
- Catalog Number(s)
- BBV-857497562
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.64
- Heavy atoms count
- 20
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.357
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06820472665
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