956576-82-2
Product Name:
4-Allyl-5-[1-(4-chloro-3,5-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
Formula:
C15H18ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 323.0859111 g/mol |
| Monoisotopic Mass | 323.0859111 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 431 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |