55432-14-9
Product Name:
3-[3-(4-CHLORO-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID
Formula:
C18H13ClN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 324.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 324.0665554 g/mol |
| Monoisotopic Mass | 324.0665554 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 429 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |