Structure Info
- Chemspace ID
- CSMB03496564299 (Enamine MADE)
- CAS
- 2680786-85-8
- IUPAC Name
- 8-(2,2,2-trifluoroacetamido)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
- Mol formula
- C12H10F3NO5
- Mol weight
- 305 Da
- Catalog Number(s)
- BBV-391745964, EN300-28291208
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.22
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03496564299
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