6054-90-6
Product Name:
sodium 2-[[[3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]benzoate
Formula:
C23H17N6NaO8S
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COMPUTED DESCRIPTORS
| Molecular Weight | 560.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 560.07262698 g/mol |
| Monoisotopic Mass | 560.07262698 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1080 |
| 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 |