| MolName | 4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide |
| MolecularFormula | C31H25N3O2 |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C31H25N3O2/c35-30(26-14-8-3-9-15-26)32-28-22-18-27(19-23-28)31(36)34-33-29(20-16-24-10-4-1-5-11-24)21-17-25-12-6-2-7-13-25/h1-23H,(H,32,35)(H,34,36) |
| InChIK | FQEVVHKGXVEHPV-UHFFFAOYSA-N |
| TotalMolweight | 471.559 |
| Molweight | 471.559 |
| MonoisotopicMass | 471.194677 |
| CLogP | 6.6808 |
| CLogS | -7.279 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 386.93 |
| Relative PSA | 0.15638 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.8847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 14 |
| Amides | 1 |
| StereoCon |
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1 - 4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide | 2 - 4-benzamido-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide