Structure Info
- Chemspace ID
- CSMB00045124156 (Enamine MADE)
- MFCD
- MFCD28648742
- IUPAC Name
- 7-amino-8-chloro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
- Mol formula
- C9H8ClNO4
- Mol weight
- 230 Da
- Catalog Number(s)
- BBV-78280220, CSC045124156, FCH3808274
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.57
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00045124156
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