131032-72-9
Product Name:
3-(4-[(E)-2-[4-(DIMETHYLAMINO)PHENYL]VINYL]PYRIDINIUM-1-YL)PROPANE-1-SULFONATE
Formula:
C18H22N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 346.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 346.13511374 g/mol |
| Monoisotopic Mass | 346.13511374 g/mol |
| Topological Polar Surface Area | 72.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 470 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |