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93941-80-1

93941-80-1 structural image
Product Name: 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-
Formula: C27H24Cl2N14O12S3
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COMPUTED DESCRIPTORS

Molecular Weight 903.7 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 13
Exact Mass 902.0237312 g/mol
Monoisotopic Mass 902.0237312 g/mol
Topological Polar Surface Area 436 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 2000
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