72894-29-2
Product Name:
2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-4-hydroxy-, trisodium salt
Formula:
C32H21ClF2N6O11S3.3Na
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COMPUTED DESCRIPTORS
| Molecular Weight | 901.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 7 |
| Exact Mass | 899.9545358 g/mol |
| Monoisotopic Mass | 899.9545358 g/mol |
| Topological Polar Surface Area | 309 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1690 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |