83027-44-5
Product Name:
sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate
Formula:
C27H27N2NaO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 530.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 530.14875204 g/mol |
| Monoisotopic Mass | 530.14875204 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 946 |
| 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 |