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118658-98-3

118658-98-3 structural image
Product Name: 7-[4-(3-diethylaminopropylamino)-6-(3-diethylammoniopropylamino)-1,3,5-triazin-2-ylamino]-4-hydroxy-3-(4-phenylazophenylazo)-naphthalene-2-sulfonate, acetic acid, lactic acid (2:1:1)
Formula: C44H60N12O9S
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COMPUTED DESCRIPTORS

Molecular Weight 1718.1 g/mol
Hydrogen Bond Donor Count 15
Hydrogen Bond Acceptor Count 35
Rotatable Bond Count 43
Exact Mass 1716.82821207 g/mol
Monoisotopic Mass 1716.82821207 g/mol
Topological Polar Surface Area 525 Ų
Heavy Atom Count 122
Formal Charge 2
Complexity 1360
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes