72927-99-2
Product Name:
trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
Formula:
C32H27ClN7NaO11S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 882.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 6 |
| Exact Mass | 880.9999286 g/mol |
| Monoisotopic Mass | 880.9999286 g/mol |
| Topological Polar Surface Area | 332 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1700 |
| 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 |