488800-80-2
Product Name:
2-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
Formula:
C17H14N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 338.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 338.08374688 g/mol |
| Monoisotopic Mass | 338.08374688 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 563 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |