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122955-13-9

122955-13-9 structural image
Product Name: XE 991 dihydrochloride
Formula: C26H21ClN2O
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COMPUTED DESCRIPTORS

Molecular Weight 449.4 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 448.1109187 g/mol
Monoisotopic Mass 448.1109187 g/mol
Topological Polar Surface Area 42.8 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 515
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes

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