6471-09-6
Product Name:
Benzoic acid, 5-4-4-4-(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino-2-sulfophenylamino-6-(phenylamino)-1,3,5-triazin-2-ylaminophenylazo-2-hydroxy-, trisodium salt
Formula:
C42H27N10O11S2.3Na
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COMPUTED DESCRIPTORS
| Molecular Weight | 980.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 10 |
| Exact Mass | 980.09952691 g/mol |
| Monoisotopic Mass | 980.09952691 g/mol |
| Topological Polar Surface Area | 363 Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 1910 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |