61675-62-5
Product Name:
Tioconazole Related CoMpound B
Formula:
C16H13Cl5N2OS
Synonyms:
1-[2,4-Dichloro-β-[(2,5-dichloro-3-thenyl)oxy]phenethyl]imidazole hydrochloride hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 457.916173 g/mol |
| Monoisotopic Mass | 455.919123 g/mol |
| Topological Polar Surface Area | 55.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 408 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |