63148-98-1
Product Name:
2-(2-ETHOXY-1-BUTENYL)-5-PHENYL-3-(3-SULFOBUTYL)BENZOXAZOLIUM INNER SALT
Formula:
C23H27NO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 429.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 429.16099414 g/mol |
| Monoisotopic Mass | 429.16099414 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 654 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |