1.0 2016-05-22 05:44:13 UTC 2026-08-20 02:49:37 UTC Danofloxacin SmallMolecule Danofloxacin is an organic compound with the formula C19H20FN3O3 and an average molecular weight of 357.38 g/mol. Danofloxacin belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This compound acts as a modulator of two protein targets: DNA gyrase subunit A (gyrA) and DNA gyrase subunit B (gyrB). It is identified as being released from or found in two recorded sources, including antibiotics from healthcare, pharmaceuticals, and veterinary products, as well as drinking water from water supply sources. Recorded routes of exposure for danofloxacin include oral and inhalation pathways. C19H20FN3O3 357.385 357.148869679 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid danofloxacin 112398-08-0 [H][C@]12CN(C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=C3)C(O)=O)[C@]([H])(CN1C)C2 InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1 QMLVECGLEOSESV-RYUDHWBXSA-N Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Quinoline carboxylic acids Amino acids Aminoquinolines and derivatives Aryl fluorides Azacyclic compounds Benzenoids Carboxylic acids Dialkylarylamines Fluoroquinolones Haloquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives N-alkylpyrrolidines N-arylpiperazines N-methylpiperazines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Trialkylamines Vinylogous amides 1,4-diazinane Amine Amino acid Amino acid or derivatives Aminoquinoline Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Dialkylarylamine Dihydroquinoline Dihydroquinolone Fluoroquinolone Haloquinoline Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-alkylpiperazine N-alkylpyrrolidine N-arylpiperazine N-methylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Pyrrolidine Quinoline-3-carboxylic acid Tertiary aliphatic amine Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide Aromatic heteropolycyclic compounds Detected and Not Quantified logp 0.71 logp 0.33 ALOGPS logs -2.69 ALOGPS solubility 7.38e-01 g/l ALOGPS logp 0.71 ChemAxon pka_strongest_acidic 5.65 ChemAxon pka_strongest_basic 6.73 ChemAxon iupac 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ChemAxon average_mass 357.385 ChemAxon mono_mass 357.148869679 ChemAxon smiles [H][C@]12CN(C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=C3)C(O)=O)[C@]([H])(CN1C)C2 ChemAxon formula C19H20FN3O3 ChemAxon inchi InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1 ChemAxon inchikey QMLVECGLEOSESV-RYUDHWBXSA-N ChemAxon polar_surface_area 64.09 ChemAxon refractivity 95.47 ChemAxon polarizability 36.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7280893a38> DB11393 14650736 10696636 BE0008385 BE0002388