116477-16-8
Product Name:
1-(1,1,3-Trimethyl-1H-benzoeindol-2-ylidene-methyl)-3-(1,1,3-trimethyl-1H-benzoeindolium-2-yl-methylene)-cyclobuten-2-one-4-olate
Formula:
C36H32N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 524.6 g/mol |
|---|---|
| XLogP3 | 8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 524.246378268 g/mol |
| Monoisotopic Mass | 524.246378268 g/mol |
| Topological Polar Surface Area | 46.4 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1120 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |