Ofloxacin hydrochlorideProduct ingredient for Ofloxacin

Name
Ofloxacin hydrochloride
Drug Entry
Ofloxacin

A synthetic fluoroquinolone (fluoroquinolones) antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.

Accession Number
DBSALT002388
Structure
Synonyms
Ofloxacin HCl
UNII
I2UWV315WA
CAS Number
118120-51-7
Weight
Average: 397.83
Monoisotopic: 397.120462
Chemical Formula
C18H21ClFN3O4
InChI Key
CAOOISJXWZMLBN-UHFFFAOYSA-N
InChI
InChI=1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H
IUPAC Name
7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid hydrochloride
SMILES
Cl.CC1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O
ChemSpider
164679
ChEMBL
CHEMBL556371
Predicted Properties
PropertyValueSource
Water Solubility1.44 mg/mLALOGPS
logP-0.02ALOGPS
logP0.65Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)5.45Chemaxon
pKa (Strongest Basic)6.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area73.32 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity94.94 m3·mol-1Chemaxon
Polarizability36.56 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon