Metabolite Norfloxacin
- Name
- Norfloxacin
- Description
- Not Available
- Structure
Structure for Norfloxacin
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 319.3308
Monoisotopic: 319.133219662 - Chemical Formula
- C16H18FN3O3
- InChI Key
- OGJPXUAPXNRGGI-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
- IUPAC Name
- 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
- SMILES
- CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.7078468 predictedDarkChem Lite v0.1.0 [M-H]- 167.04971 predictedDeepCCS 1.0 (2019) [M-H]- 186.7078468 predictedDarkChem Lite v0.1.0 [M-H]- 167.04971 predictedDeepCCS 1.0 (2019) [M+H]+ 187.2273468 predictedDarkChem Lite v0.1.0 [M+H]+ 169.4077 predictedDeepCCS 1.0 (2019) [M+H]+ 187.2273468 predictedDarkChem Lite v0.1.0 [M+H]+ 169.4077 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.5449468 predictedDarkChem Lite v0.1.0 [M+Na]+ 176.37462 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.5449468 predictedDarkChem Lite v0.1.0 [M+Na]+ 176.37462 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0015192
- KEGG Compound
- C06687
- ChemSpider
- 4380
- BindingDB
- 50045000
- ChEBI
- 100246
- ChEMBL
- CHEMBL9
- ZINC
- ZINC000000003742
- PharmGKB
- PA450654
- Wikipedia
- Norfloxacin
- Predicted Properties
Property Value Source Water Solubility 1.01 mg/mL ALOGPS logP -0.47 ALOGPS logP -0.97 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 5.58 Chemaxon pKa (Strongest Basic) 8.77 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.88 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 85.48 m3·mol-1 Chemaxon Polarizability 32.26 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon