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1024831-26-2

1024831-26-2 structural image
Product Name: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4-(4,5-DICHLOROIMIDAZOLYL)PHENYL)AMINO)PROP-2-ENENITRILE
Formula: C13H8Cl2N8
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COMPUTED DESCRIPTORS

Molecular Weight 347.2 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 346.0248977 g/mol
Monoisotopic Mass 346.0248977 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 484
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes