ACORAFLOXACIN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1NWW5SKQ0N

Structure
InChI Key RDXCNSOGHLLWDV-YFMOEUEHSA-N
Smile COc1c(N2CCC/C(=C(\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChI
InChI=1S/C21H23F2N3O4.ClH/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24;/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29);1H/b16-11+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClF2N3O4
Molecular Weight 455.89
AlogP 2.96
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 97.79
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infections 2 D007239 ClinicalTrials
Pneumonia, Bacterial 2 D018410 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364603
EPA CompTox DTXSID70142966
FDA SRS 1NWW5SKQ0N
PubChem 67311433
SureChEMBL SCHEMBL2190495
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