50616-44-9
Product Name:
[5-(2-ISOPROPOXY-PHENYL)-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL]-ACETIC ACID
Formula:
C13H15N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 293.34 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 293.08341252 g/mol |
| Monoisotopic Mass | 293.08341252 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 330 |
| 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 |