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146697-04-3

146697-04-3 structural image
Product Name: thiomarinol
Formula: C30H44N2O9S2
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COMPUTED DESCRIPTORS

Molecular Weight 640.8 g/mol
XLogP3 2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 17
Exact Mass 640.24882333 g/mol
Monoisotopic Mass 640.24882333 g/mol
Topological Polar Surface Area 225 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 7
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes