303997-20-8
Product Name:
1-[1-(2,4-DICHLOROPHENYL)-5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL]-3-HYDROXY-2-BUTEN-1-ONE
Formula:
C14H12Cl2N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.2 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 326.0224976 g/mol |
| Monoisotopic Mass | 326.0224976 g/mol |
| Topological Polar Surface Area | 69.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 530 |
| 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 |