56929-54-5
Product Name:
(4-ALLYL-5-BENZYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Formula:
C14H15N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 289.35 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 289.08849790 g/mol |
| Monoisotopic Mass | 289.08849790 g/mol |
| Topological Polar Surface Area | 93.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 334 |
| 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 |