32835-27-1
Product Name:
3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium bromide
Formula:
C23H21BrN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 469.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 468.03295 g/mol |
| Monoisotopic Mass | 468.03295 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 549 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |