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5413-69-4

5413-69-4 structural image
Product Name: BRILLIANT PURPURIN R
Formula: C34H29N6NaO9S3
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COMPUTED DESCRIPTORS

Molecular Weight 760.8 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 8
Exact Mass 760.10799001 g/mol
Monoisotopic Mass 760.10799001 g/mol
Topological Polar Surface Area 290 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1650
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