| MolName | (E)-3-phenyl-N-[3-[3-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phenyl]prop-2-enamide |
| MolecularFormula | C31H24N2O3 |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cccc(C(c2cc(NC(/C=C/c3ccccc3)=O)ccc2)=O)c1 |
| InChI | InChI=1S/C31H24N2O3/c34-29(19-17-23-9-3-1-4-10-23)32-27-15-7-13-25(21-27)31(36)26-14-8-16-28(22-26)33-30(35)20-18-24-11-5-2-6-12-24/h1-22H,(H,32,34)(H,33,35) |
| InChIK | QFWCBRZRGKPRDF-UHFFFAOYSA-N |
| TotalMolweight | 472.543 |
| Molweight | 472.543 |
| MonoisotopicMass | 472.178693 |
| CLogP | 5.743 |
| CLogS | -7.48 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 381.71 |
| Relative PSA | 0.16253 |
| PolarSurfaceArea | 75.27 |
| Druglikeness | -0.028695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63889 |
| 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 | 19 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-[3-[3-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phenyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[3-[3-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phenyl]prop-2-enamide