| MolName | (E)-3-phenyl-N-[2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]prop-2-enamide |
| MolecularFormula | C30H24N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cccc1)c1-c(cccc1)c1NC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C30H24N2O2/c33-29(21-19-23-11-3-1-4-12-23)31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)32-30(34)22-20-24-13-5-2-6-14-24/h1-22H,(H,31,33)(H,32,34) |
| InChIK | APMYEOFXNCTGKJ-UHFFFAOYSA-N |
| TotalMolweight | 444.533 |
| Molweight | 444.533 |
| MonoisotopicMass | 444.183778 |
| CLogP | 6.2722 |
| CLogS | -7.466 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 363.96 |
| Relative PSA | 0.13463 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.43887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 19 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-phenyl-N-[2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]prop-2-enamide