16102-99-1
Product Name:
disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]anthracene-2-sulphonate
Formula:
C22H16N2Na2O11S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 626.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 625.97116142 g/mol |
| Monoisotopic Mass | 625.97116142 g/mol |
| Topological Polar Surface Area | 255 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1200 |
| 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 |