93703-26-5
Product Name:
8-BroMo-3,7-dihydro-3-Methyl-7-(phenylMethyl)-1H-purine-2,6-dione
Formula:
C13H11BrN4O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 42.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 335.16 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 334.00654 g/mol |
| Monoisotopic Mass | 334.00654 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 413 |
| 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 |