Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3CC3CO)c(F)c21- InChIKey
NUMNIBDCMQKXPD-UHFFFAOYSA-N- Molecular formula
- C16H15F2NO4
- Average molar mass
- 323.29 g/mol
- Monoisotopic mass
- 323.09691428
Names & identifiers
- Preferred name
- 1-Ethyl-6,8-difluoro-7-[2-(hydroxymethyl)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)cyclopropyl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9442741
Database identifiers
- PubChem CID
- 14987201
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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