Structure Info
- Chemspace ID
- CSMB09883416574 (Enamine MADE)
- IUPAC Name
- methyl 2-amino-5-cyano-4-(2-fluoropropan-2-yl)benzoate
- Mol formula
- C12H13FN2O2
- Mol weight
- 236 Da
- Catalog Number(s)
- BBV-921538599
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.47
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB09883416574
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