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(2S)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxy-2-,phenylac

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摘 要: (2S)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxy-2-,phenylacetamide,Canonical SMILES: C1=CC=C(C=C1)C(C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O,Isomeric SMILES: C1=CC=C(C=C1)[C@@H](C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O,InChI: InChI=1/C16H12BrN3O3/c17-
[Synonyms]

[Structure]
 (2S)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxy-2-,phenylac

[ Properties Computed from Structure]
Molecular Weight374.18878 [g/mol]
Molecular FormulaC16H12BrN3O3
XLogP4.3
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count9
Exact Mass373.006204
MonoIsotopic Mass373.006204
Topological Polar Surface Area98
Heavy Atom Count23
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxy-2-
phenylacetamide
Canonical SMILES: C1=CC=C(C=C1)C(C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O
Isomeric SMILES: C1=CC=C(C=C1)[C@@H](C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O
InChI: InChI=1/C16H12BrN3O3/c17-10-6-7-12-11(8-10)13(15(22)18-12)19-20-16(23)14
(21)9-4-2-1-3-5-9/h1-8,14,18,21-22H/b20-19+/t14-/m0/s1

 
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