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5-Amino-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid (HCID 9839742)|Huagongshe
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Compound
5-Amino-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
HCID
9839742
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3F)c12
InChIKey
LIFSIBVTJOPWMV-UHFFFAOYSA-N
Molecular formula
C14H11F3N2O3
Average molar mass
312.24 g/mol
Names & identifiers
Preferred name
5-Amino-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
IUPAC
5-amino-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
Database identifiers
PubChem CID
9839742
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
83.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
555
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Related reactions
3 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
113031
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
155653
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
2345272
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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