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Oprea1_293118,Oprea1_509595,IFLab1_001686,STOCK1N-04429,ZINC00129954,

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摘 要:Oprea1_293118,Oprea1_509595,IFLab1_001686,STOCK1N-04429,ZINC00129954, 2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide,Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N,InChI: InChI=1/C17H13NO4/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-1
[Synonyms]
Oprea1_293118
Oprea1_509595
IFLab1_001686
STOCK1N-04429
ZINC00129954

[Structure]
Oprea1_293118,Oprea1_509595,IFLab1_001686,STOCK1N-04429,ZINC00129954,

[ Properties Computed from Structure]
Molecular Weight295.28942 [g/mol]
Molecular FormulaC17H13NO4
XLogP2.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass295.084458
MonoIsotopic Mass295.084458
Topological Polar Surface Area78.6
Heavy Atom Count22
Formal Charge0
Complexity467
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: 2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N
InChI: InChI=1/C17H13NO4/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-17(20)
22-15(13)8-12/h1-9H,10H2,(H2,18,19)/f/h18H2

 
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