| MolName | (4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one |
| MolecularFormula | C24H17NO5 |
| Smiles | CCOc(cc1)ccc1C(Oc1c2cccc1)=C/C2=C1/N=C(c2ccco2)OC1=O |
| InChI | InChI=1S/C24H17NO5/c1-2-27-16-11-9-15(10-12-16)21-14-18(17-6-3-4-7-19(17)29-21)22-24(26)30-23(25-22)20-8-5-13-28-20/h3-14H,2H2,1H3 |
| InChIK | KFGWDUXFMDMSPB-UHFFFAOYSA-N |
| TotalMolweight | 399.401 |
| Molweight | 399.401 |
| MonoisotopicMass | 399.110674 |
| CLogP | 3.6706 |
| CLogS | -5.092 |
| H Acceptors | 6 |
| TotalSurfaceArea | 299.84 |
| Relative PSA | 0.22899 |
| PolarSurfaceArea | 70.26 |
| Druglikeness | -0.4754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one | 2 - (4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one