749821-19-0
Product Name:
4-amino-1-[(2RS)-2-(2,4-difluorophenyl)-2-hydroxy-3(1H-
1,2,4-triazol-1-yl)propyl]-4H-1,2,4-triazolium
Formula:
C13H14F2N7O+
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.29 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.12278942 g/mol |
| Monoisotopic Mass | 322.12278942 g/mol |
| Topological Polar Surface Area | 98.7 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 1 |
| Complexity | 407 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |