72987-16-7
Product Name:
2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonic acid, potassium sodium salt
Formula:
C58H46F2K3N14Na3O22S6
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COMPUTED DESCRIPTORS
| Molecular Weight | 822.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 6 |
| Exact Mass | 822.01364702 g/mol |
| Monoisotopic Mass | 822.01364702 g/mol |
| Topological Polar Surface Area | 332 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | -1 |
| Complexity | 1590 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |