70224-83-8
Product Name:
hexasodium 4,4'-bis[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Formula:
C52H37Cl6N18NaO20S6
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COMPUTED DESCRIPTORS
| Molecular Weight | 1770.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 36 |
| Rotatable Bond Count | 16 |
| Exact Mass | 1767.769584 g/mol |
| Monoisotopic Mass | 1765.772534 g/mol |
| Topological Polar Surface Area | 634 Ų |
| Heavy Atom Count | 108 |
| Formal Charge | 0 |
| Complexity | 3610 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 7 |
| Compound Is Canonicalized | Yes |