117821-30-4
Product Name:
oxiran-2-yl-(4-phenyl-1H-pyrazol-5-yl)methanone
Formula:
C12H10N2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 6.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 214.22 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 214.074227566 g/mol |
| Monoisotopic Mass | 214.074227566 g/mol |
| Topological Polar Surface Area | 58.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 276 |
| 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 |