72829-25-5
Product Name:
trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
Formula:
C27H19ClN7Na3O10S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 802.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 7 |
| Exact Mass | 800.9737139 g/mol |
| Monoisotopic Mass | 800.9737139 g/mol |
| Topological Polar Surface Area | 296 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1410 |
| 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 |