892874-27-0
Product Name:
(3-THIOPHEN-2-YLMETHYL-5-THIOXO-1,5-DIHYDRO-[1,2,4]TRIAZOL-4-YL)-ACETIC ACID
Formula:
C9H9N3O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 255.3 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 255.01361889 g/mol |
| Monoisotopic Mass | 255.01361889 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 346 |
| 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 |