Structure Info
- Chemspace ID
- CSMB00133384356 (Enamine MADE)
- IUPAC Name
- 7-amino-5-(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
- Mol formula
- C12H15NO4
- Mol weight
- 237 Da
- Catalog Number(s)
- BBV-160432464, CSC133384356
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.79
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00133384356
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