178925-54-7
Product Name:
2-Benzothiazolyl-3-(4-carboxy-2-methoxyphenyl)-5-(4-(2-sulfoethylcarbamoyl)phenyl)-2H-tetrazolium
Formula:
C25H20N6O7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 583.6 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 583.10696444 g/mol |
| Monoisotopic Mass | 583.10696444 g/mol |
| Topological Polar Surface Area | 215 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 1 |
| Complexity | 1060 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |