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2047352-86-1

2047352-86-1 structural image
Product Name: ITIC-M
Formula: C96H86N4O2S4
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COMPUTED DESCRIPTORS

Molecular Weight 1456.0 g/mol
XLogP3 28.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 26
Exact Mass 1455.56671753 g/mol
Monoisotopic Mass 1454.56336269 g/mol
Topological Polar Surface Area 242 Ų
Heavy Atom Count 106
Formal Charge 0
Complexity 3110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes