Basic information
- Standard SMILES
CCOC(=O)c1cn(C2CC2F)c2c(C)c(F)c(F)c([N+](=O)[O-])c2c1=O- InChIKey
QQETUOAIVBXRCO-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2O5
- Average molar mass
- 370.28 g/mol
Names & identifiers
- Preferred name
- Ethyl 6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
- IUPAC
- ethyl 6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL8542188
Database identifiers
- PubChem CID
- 22100511
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 667
Related reactions
2 records
Compound notes
Loading…