85153-43-1
Product Name:
1-(5-amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid
Formula:
C17H15N5O9S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 497.5 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 497.03111942 g/mol |
| Monoisotopic Mass | 497.03111942 g/mol |
| Topological Polar Surface Area | 246 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 1060 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |