67326-80-1
Product Name:
3,3'-BIS(3-SULFOPROPYL)-5-CHLORO-9-ETHYL-5'-PHENYLOXACARBOCYANINE BETAINE SODIUM SALT
Formula:
C31H30ClN2NaO8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 683.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 682.1186303 g/mol |
| Monoisotopic Mass | 682.1186303 g/mol |
| Topological Polar Surface Area | 161 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1330 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |