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Homecas114875-57-9

114875-57-9

114875-57-9 structural image
Product Name: KP 736
Formula: C21H18N8O8S4
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COMPUTED DESCRIPTORS

Molecular Weight 638.7 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 10
Exact Mass 638.01304426 g/mol
Monoisotopic Mass 638.01304426 g/mol
Topological Polar Surface Area 341 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1260
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes