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TimTec1_001140,Oprea1_725883,ZINC00031570,ST019136, N-(3,4-dichlorophe

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摘 要:TimTec1_001140,Oprea1_725883,ZINC00031570,ST019136, N-(3,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide,Canonical SMILES: C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC(=C(C=C3)Cl)Cl,InChI: InChI=1/C17H16Cl2N2O/c18-14-8-7-13(10-15(14)19)20-17(22)11-21-
[Synonyms]
TimTec1_001140
Oprea1_725883
ZINC00031570
ST019136

[Structure]
TimTec1_001140,Oprea1_725883,ZINC00031570,ST019136, N-(3,4-dichlorophe

[ Properties Computed from Structure]
Molecular Weight335.22774 [g/mol]
Molecular FormulaC17H16Cl2N2O
XLogP4.4
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass334.063969
MonoIsotopic Mass334.063969
Topological Polar Surface Area32.3
Heavy Atom Count22
Formal Charge0
Complexity393
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
Canonical SMILES: C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1/C17H16Cl2N2O/c18-14-8-7-13(10-15(14)19)20-17(22)11-21-9-3-5-12-
4-1-2-6-16(12)21/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,22)/f/h20H

 
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