321574-18-9
Product Name:
3-[5-AMINO-4-(4-FLUOROPHENYL)-1H-PYRAZOL-1-YL]TETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
Formula:
C13H14FN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 295.33 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.07907603 g/mol |
| Monoisotopic Mass | 295.07907603 g/mol |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 445 |
| 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 |