7338-78-5
Product Name:
3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONIC ACID
Formula:
C6H7N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 201.21 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.02081227 g/mol |
| Monoisotopic Mass | 201.02081227 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 300 |
| 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 |