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167638-53-1

167638-53-1 structural image
Product Name: 4,5-BENZO-1'-ETHYL-3,3,3',3'-TETRAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANIN-5'-ACETIC ACID N-SUCCINIMIDYL ESTER
Formula: C41H45N3O7S
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COMPUTED DESCRIPTORS

Molecular Weight 723.9 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 12
Exact Mass 723.29782196 g/mol
Monoisotopic Mass 723.29782196 g/mol
Topological Polar Surface Area 136 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1590
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes