| MolName | (E)-3-phenyl-N-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide |
| MolecularFormula | C30H24N2O3 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C30H24N2O3/c33-29(21-11-23-7-3-1-4-8-23)31-25-13-17-27(18-14-25)35-28-19-15-26(16-20-28)32-30(34)22-12-24-9-5-2-6-10-24/h1-22H,(H,31,33)(H,32,34) |
| InChIK | RAPQASXQHSOWHF-UHFFFAOYSA-N |
| TotalMolweight | 460.532 |
| Molweight | 460.532 |
| MonoisotopicMass | 460.178693 |
| CLogP | 6.0086 |
| CLogS | -7.677 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 373.96 |
| Relative PSA | 0.15777 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -0.45422 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 21 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide