929974-83-4
Product Name:
1H-1,2,4-Triazole-3-carboxylic acid, 1-phenyl-5-(2-thienyl)-
Formula:
C13H9N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 271.30 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.04154771 g/mol |
| Monoisotopic Mass | 271.04154771 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 336 |
| 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 |