94232-25-4
Product Name:
disodium 1-[[4-[[(6-methoxypyridazin-3-yl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate
Formula:
C20H20N4Na2O9S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 602.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 602.01878031 g/mol |
| Monoisotopic Mass | 602.01878031 g/mol |
| Topological Polar Surface Area | 233 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 982 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |