384368-14-3
Product Name:
methyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylpropanoate
Formula:
C13H16N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 324.36 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 324.08922618 g/mol |
| Monoisotopic Mass | 324.08922618 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |