339018-06-3
Product Name:
1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE
Formula:
C11H5ClF3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.64 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 331.0083866 g/mol |
| Monoisotopic Mass | 331.0083866 g/mol |
| Topological Polar Surface Area | 88.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 491 |
| 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 |