727717-72-8
Product Name:
Acetic acid, 2-[[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Formula:
C16H12ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.8 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.0338755 g/mol |
| Monoisotopic Mass | 345.0338755 g/mol |
| Topological Polar Surface Area | 93.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 401 |
| 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 |