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12239-00-8

12239-00-8 structural image
Product Name: 5-[[4-(aminosulphonyl)-2-nitrophenyl]amino]-2-[[4-[[4-(aminosulphonyl)-2-nitrophenyl]amino]phenyl]amino]benzenesulphonic acid
Formula: C24H21N7O11S3
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COMPUTED DESCRIPTORS

Molecular Weight 679.7 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 9
Exact Mass 679.04611803 g/mol
Monoisotopic Mass 679.04611803 g/mol
Topological Polar Surface Area 328 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1380
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