676348-39-3
Product Name:
3-(3-Bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Formula:
C13H16BrN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.04259 g/mol |
| Monoisotopic Mass | 325.04259 g/mol |
| Topological Polar Surface Area | 68 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 416 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |