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501666-85-9

501666-85-9 structural image
Product Name: DC1-SMe
Formula: C35H30ClN5O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 684.2 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 683.1427745 g/mol
Monoisotopic Mass 683.1427745 g/mol
Topological Polar Surface Area 181 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1150
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes