94703-33-0
Product Name:
1-(4-Dimethylamino-2-fluoro-phenyl)-3-(4-dimethylimmonium-2-fluoro-cyclohexa-2,5-dien-1-ylidene)-2-oxo-cyclobuten-4-olate
Formula:
C20H18F2N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 356.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 356.13363415 g/mol |
| Monoisotopic Mass | 356.13363415 g/mol |
| Topological Polar Surface Area | 46.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 717 |
| 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 |