Structure Info
- Chemspace ID
- CSCS00021104244 (Synthesis)
- MFCD
- MFCD29149720
- IUPAC Name
- methyl 7-amino-4-cyano-1-benzothiophene-6-carboxylate
- Mol formula
- C11H8N2O2S
- Mol weight
- 232 Da
- Catalog Number(s)
- BBV-78589047, CSC021104244, FCH4326261
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.53
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.09
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00021104244
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