692287-51-7
Product Name:
(E)-3-(1,3-BENZODIOXOL-5-YL)-1-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]-2-PROPEN-1-ONE
Formula:
C18H13N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.09569129 g/mol |
| Monoisotopic Mass | 319.09569129 g/mol |
| Topological Polar Surface Area | 66.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| 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 |