838905-98-9
Product Name:
2-((1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Formula:
C18H16N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 356.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 356.08307817 g/mol |
| Monoisotopic Mass | 356.08307817 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |