522606-41-3
Product Name:
4-ALLYL-5-(4-ETHYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C14H17N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 275.37 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 275.10923335 g/mol |
| Monoisotopic Mass | 275.10923335 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 362 |
| 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 |