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CBDivE_011628,MLS000575509,SMR000184760,N'-[(2-chloro-3-quinolinyl

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摘 要:CBDivE_011628,MLS000575509,SMR000184760,N'-[(2-chloro-3-quinolinyl)methylene]-2-(3-methylphenoxy)acetohydrazide, N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide,Canonical SMILES: CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC3=CC=CC=C3N=
[Synonyms]
CBDivE_011628
MLS000575509
SMR000184760
N'-[(2-chloro-3-quinolinyl)methylene]-2-(3-methylphenoxy)acetohydrazide

[Structure]
CBDivE_011628,MLS000575509,SMR000184760,N'-[(2-chloro-3-quinolinyl

[ Properties Computed from Structure]
Molecular Weight353.80224 [g/mol]
Molecular FormulaC19H16ClN3O2
XLogP4.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass353.093104
MonoIsotopic Mass353.093104
Topological Polar Surface Area63.6
Heavy Atom Count25
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
Canonical SMILES: CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC3=CC=CC=C3N=C2Cl
InChI: InChI=1/C19H16ClN3O2/c1-13-5-4-7-16(9-13)25-12-18(24)23-21-11-15-10-14-
6-2-3-8-17(14)22-19(15)20/h2-11H,12H2,1H3,(H,23,24)/f/h23H

 
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