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5863-54-7

5863-54-7 structural image
Product Name: ERIOCYANINE A
Formula: C37H36N3NaO6S2
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COMPUTED DESCRIPTORS

Molecular Weight 684.8 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 684.22020329 g/mol
Monoisotopic Mass 684.22020329 g/mol
Topological Polar Surface Area 135 Ų
Heavy Atom Count 48
Formal Charge 1
Complexity 1420
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