873436-89-6
Product Name:
8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine
Formula:
C12H8IN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 412.94434 g/mol |
| Monoisotopic Mass | 412.94434 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 395 |
| 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 |