878420-86-1
Product Name:
3-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione
Formula:
C16H12ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.8 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 345.0338755 g/mol |
| Monoisotopic Mass | 345.0338755 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 496 |
| 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 |