Name: Clinafloxacin hydrochloride
SKU: 105956-99-8

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Basic Information

Molecular Structure:
CAS No.:	105956-99-8
Name:	Clinafloxacin hydrochloride

Formula:	C₁₇H₁₇ClFN₃O₃^.HCl
Molecular Weight:	402.253
Synonyms:	3-Quinolinecarboxylicacid,7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-,monohydrochloride (9CI);AM 1091;CI 960;Clinafloxacin hydrochloride;KR 11095;
Density:	1.573 g/cm3
Melting Point:	162-168°C
Boiling Point:	592.3 °C at 760 mmHg
Flash Point:	312 °C
PSA:	88.56000
LogP:	3.93180

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Specification

The Clinafloxacin hydrochloride with the CAS number 105956-99-8 is also called 3-Quinolinecarboxylicacid,7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-,hydrochloride (1:1). The IUPAC name is 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride. Its molecular formula is C₁₇H₁₇ClFN₃O₃^.HCl. The classification code is Antibacterial.

The properties of the Clinafloxacin hydrochloride are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.09 Å²; (13)Enthalpy of Vaporization: 92.89 kJ/mol; (14)Vapour Pressure: 7.14×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc2c(c(Cl)c1N(/C=C(/C(=O)O)C(=O)c1c2)C3CC3)N4CCC(N)C4
(2)InChI: InChI=1/C17H17ClFN3O3.ClH/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9;/h5,7-9H,1-4,6,20H2,(H,24,25);1H
(3)InChIKey: BMACYHMTJHBPOX-UHFFFAOYAX