| MolName | N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C31H26N2O2 |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C31H26N2O2/c34-31(24-35-30-22-18-28(19-23-30)27-14-8-3-9-15-27)33-32-29(20-16-25-10-4-1-5-11-25)21-17-26-12-6-2-7-13-26/h1-23H,24H2,(H,33,34) |
| InChIK | VYAMIZUZSXKGSB-UHFFFAOYSA-N |
| TotalMolweight | 458.559 |
| Molweight | 458.559 |
| MonoisotopicMass | 458.199428 |
| CLogP | 6.7674 |
| CLogS | -7.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 381.48 |
| Relative PSA | 0.12061 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 3.2621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-2-(4-phenylphenoxy)acetamide | 2 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-2-(4-phenylphenoxy)acetamide