7-Fluoro-1-methyl-4-oxo-1,4-dihydro-quinol-3-yl ethanesulphonate
Basic information
- Standard SMILES
CCS(=O)(=O)Oc1cn(C)c2cc(F)ccc2c1=O- InChIKey
LLEWUZDCFGBLNU-UHFFFAOYSA-N- Molecular formula
- C12H12FNO4S
- Average molar mass
- 285.29 g/mol
Names & identifiers
- Preferred name
- 7-Fluoro-1-methyl-4-oxo-1,4-dihydro-quinol-3-yl ethanesulphonate
- IUPAC
- (7-fluoro-1-methyl-4-oxoquinolin-3-yl) ethanesulfonate
Names & synonyms
SCHEMBL9796420LLEWUZDCFGBLNU-UHFFFAOYSA-N7-fluoro-1-methyl-4-oxo-1,4-dihydro-quinol-3-yl ethanesulphonate
Database identifiers
- PubChem CID
- 54039293
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
Loading…