15139-76-1
Product Name:
disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
Formula:
C22H19N4NaO9S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 590.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 590.01540901 g/mol |
| Monoisotopic Mass | 590.01540901 g/mol |
| Topological Polar Surface Area | 215 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |