61931-83-7
Product Name:
sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
Formula:
C17H14N5NaO7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 455.05116326 g/mol |
| Monoisotopic Mass | 455.05116326 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 828 |
| 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 |