81167-64-8
Product Name:
4-Pyridinecarbonitrile, 2-[[(2,5-dimethylphenyl)methyl]sulfonyl]-, 1-oxide
Formula:
C15H14N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.4 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.07251349 g/mol |
| Monoisotopic Mass | 302.07251349 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 505 |
| 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 |