35497-48-4
Product Name:
hydrogen 6-nitro-2-[[6-nitro-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, sodium salt
Formula:
C21H19N4NaO10S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 638.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 637.98817179 g/mol |
| Monoisotopic Mass | 637.98817179 g/mol |
| Topological Polar Surface Area | 284 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |