119228-52-3
Product Name:
Acetic acid, 2-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
Formula:
C17H13N5O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 415.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 415.05865433 g/mol |
| Monoisotopic Mass | 415.05865433 g/mol |
| Topological Polar Surface Area | 185 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 606 |
| 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 |