68869-51-2
Product Name:
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
Formula:
C21H16IN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 485.3 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 485.00588 g/mol |
| Monoisotopic Mass | 485.00588 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 536 |
| 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 |