chempirical

Enoxacin sesquihydrate

C15H19FN4O4CAS 84294-96-2338.34 g/mol

Open in Covalent MOL file
NOOHOFNHNNH2O
Aryl halideCarboxylic acidSecondary amineTertiary amine

Properties

Molecular formula
C15H19FN4O4
Molar mass
338.34 g/mol
Exact mass
338.1390 Da
logP
-0.16Crippen estimate
Polar surface area
119.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
84294-96-2
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.O
InChIKey
WQIJCWLEKPJQSO-UHFFFAOYSA-N
InChI
InChI=1S/C15H17FN4O3.H2O/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;/h7-8,17H,2-6H2,1H3,(H,22,23);1H2

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Names and synonyms

1 names
  • 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrate (2:3)

Work with Enoxacin sesquihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Enoxacin74011-58-895 % similar Pipemidic acid51940-44-467 % similar Norfloxacin70458-96-765 % similar Norfloxacin hydrochloride104142-93-062 % similar Norfloxacin nicotinate118803-81-956 % similar Pefloxacin70458-92-351 % similar Ciprofloxacin hydrochloride monohydrate86393-32-051 % similar Lomefloxacin98079-51-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook