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21016-37-5

21016-37-5 structural image
Product Name: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulphonic acid
Formula: C27H34N2O6S2
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COMPUTED DESCRIPTORS

Molecular Weight 546.7 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 11
Exact Mass 546.18582916 g/mol
Monoisotopic Mass 546.18582916 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 860
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