6359-99-5
Product Name:
sodium 4-[4-[[3-(anilinosulphonyl)-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate
Formula:
C23H18Cl2N5NaO6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 618.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 616.9973253 g/mol |
| Monoisotopic Mass | 616.9973253 g/mol |
| Topological Polar Surface Area | 178 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |