72829-39-1
Product Name:
sodium 1-amino-9,10-dihydro-4-[[3-[(hydroxyacetyl)amino]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate
Formula:
C22H16N3NaO7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 489.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 489.06066531 g/mol |
| Monoisotopic Mass | 489.06066531 g/mol |
| Topological Polar Surface Area | 187 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 895 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |