2896-76-6
Product Name:
4-[[4-[[[4-[(3-Carboxy-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid disodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 635.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 635.11413453 g/mol |
| Monoisotopic Mass | 635.11413453 g/mol |
| Topological Polar Surface Area | 212 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1150 |
| 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 |