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N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chlorophenoxy)acetami

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摘 要: N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chlorophenoxy)acetamide,Canonical SMILES: C1=CC(=CC(=C1)Cl)OCC(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O,InChI: InChI=1/C16H11BrClN3O3/c17-9-4-5-13-12(6-9)15(16(23)19-13)21-20-14(22)8-,24-11-3-1-2-10(18)7-11/h1-7
[Synonyms]

[Structure]
 N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chlorophenoxy)acetami

[ Properties Computed from Structure]
Molecular Weight408.63384 [g/mol]
Molecular FormulaC16H11BrClN3O3
XLogP5.8
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count9
Exact Mass406.967232
MonoIsotopic Mass406.967232
Topological Polar Surface Area87
Heavy Atom Count24
Formal Charge0
Complexity482
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-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chlorophenoxy)acetamide
Canonical SMILES: C1=CC(=CC(=C1)Cl)OCC(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O
InChI: InChI=1/C16H11BrClN3O3/c17-9-4-5-13-12(6-9)15(16(23)19-13)21-20-14(22)8-
24-11-3-1-2-10(18)7-11/h1-7,19,23H,8H2/b21-20+

 
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