98523-15-0
Product Name:
1-(4-Dimethylamino-2-hydroxy-6-methyl-phenyl)-3-(4-dimethylimmonium-2-hydroxy-6-methyl-cyclohexa-2,5-dien-1-ylidene)-2-oxo-cyclobuten-4-olate
Formula:
C22H24N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 380.4 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.17360725 g/mol |
| Monoisotopic Mass | 380.17360725 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 845 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |