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59316-76-6

59316-76-6 structural image
Product Name: Dibenzothioline
Formula: C31H31N3O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 637.7 g/mol
XLogP3 4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 18
Exact Mass 637.15525730 g/mol
Monoisotopic Mass 637.15525730 g/mol
Topological Polar Surface Area 208 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 924
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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