880801-01-4
Product Name:
(4-ALLYL-5-PYRIDIN-3-YL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Formula:
C12H12N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.32 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 276.06809681 g/mol |
| Monoisotopic Mass | 276.06809681 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 329 |
| 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 |