| MolName | (3Z)-3-[3-oxo-3-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]propylidene]-1H-indol-2-one |
| MolecularFormula | C26H18N2O3 |
| Smiles | O=C(C/C=C(/c(cccc1)c1N1)\C1=O)c(cc1)ccc1-c1ncc(-c2ccccc2)o1 |
| InChI | InChI=1S/C26H18N2O3/c29-23(15-14-21-20-8-4-5-9-22(20)28-25(21)30)17-10-12-19(13-11-17)26-27-16-24(31-26)18-6-2-1-3-7-18/h1-14,16H,15H2,(H,28,30) |
| InChIK | UXFWRTRUOVHXLM-UHFFFAOYSA-N |
| TotalMolweight | 406.44 |
| Molweight | 406.44 |
| MonoisotopicMass | 406.131743 |
| CLogP | 4.1229 |
| CLogS | -7.099 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.92 |
| Relative PSA | 0.20012 |
| PolarSurfaceArea | 72.2 |
| Druglikeness | 3.145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[3-oxo-3-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]propylidene]-1H-indol-2-one | 2 - (3Z)-3-[3-oxo-3-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]propylidene]-1H-indol-2-one