37891-06-8
Product Name:
2-Pyridinecarboxylic acid, 3-[[[(ethoxycarbonyl)amino]thioxomethyl]amino]-, ethyl ester
Formula:
C12H15N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 297.33 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.07832714 g/mol |
| Monoisotopic Mass | 297.07832714 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 365 |
| 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 |