317324-72-4
Product Name:
[(3-CYANO-4,5,6-TRIMETHYLPYRIDIN-2-YL)SULFANYL]ACETIC ACID
Formula:
C11H12N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 236.29 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 236.06194880 g/mol |
| Monoisotopic Mass | 236.06194880 g/mol |
| Topological Polar Surface Area | 99.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 312 |
| 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 |