68238-92-6
Product Name:
tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
Formula:
C31H15ClF2N6Na4O14S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 989.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 6 |
| Exact Mass | 987.8776450 g/mol |
| Monoisotopic Mass | 987.8776450 g/mol |
| Topological Polar Surface Area | 374 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1930 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 5 |
| Compound Is Canonicalized | Yes |