88426-33-9
Product Name:
Buparvaquone
Formula:
C21H26O3
Synonyms:
1,4-Naphthalenedione,2-[[4-(1,1-dimethylethyl)cyclohexyl]methyl]-3-;2-[(4-tert-Butylcyclohexyl)methyl]-3-hydroxy-1,4-naphthoquinone;2-[[4-(1,1-Dimethylethyl)cyclohexyl]methyl]-3-hydroxy-1,4-naphthalenedione;Butalex;UNII-0354RT7LG4
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 326.18819469 g/mol |
| Monoisotopic Mass | 326.18819469 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 544 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |