32425-63-1
Product Name:
4-[3-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
Formula:
C23H16N4O12S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 604.5 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 604.02061431 g/mol |
| Monoisotopic Mass | 604.02061431 g/mol |
| Topological Polar Surface Area | 265 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |