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82344-98-7

82344-98-7 structural image
Product Name: 5(6)-XRITC
Formula: C33H29N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 547.7 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 547.19296297 g/mol
Monoisotopic Mass 547.19296297 g/mol
Topological Polar Surface Area 86.5 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 1040
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 1
Compound Is Canonicalized Yes