2611-80-5
Product Name:
disodium 4-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]-benzene-1,3-disulphonate
Formula:
C23H17N2NaO8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 556.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 555.99869632 g/mol |
| Monoisotopic Mass | 555.99869632 g/mol |
| Topological Polar Surface Area | 181 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1110 |
| 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 |