12239-00-8
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 |