Ozenoxacin 1mg

CAT: 0628-A12996-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12996-1Size:1 mg

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CAS Number

245765-41-7

Chemical Information

Ozenoxacin

Ozenoxacin is a member of quinolines.

CAS Number	245765-41-7
PubChem CID	9863827
IUPAC Name	1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C21H21N3O3
Molecular Weight	363.4
XLogP	4.1
Topological Polar Surface Area	82.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	645

SMILES

CC1=CC(=CN=C1NC)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)

InChIKey

XPIJWUTXQAGSLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 245765-41-7

CID: 9863827

Formula: C21H21N3O3

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	363.15829154
Monoisotopic Mass	363.15829154
Topological Polar Surface Area	82.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes