| MolName | (E)-3-(4-chlorophenyl)-N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide |
| MolecularFormula | C24H18N2O2Cl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1NC(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C24H18Cl2N2O2/c25-19-7-1-17(2-8-19)5-15-23(29)27-21-11-13-22(14-12-21)28-24(30)16-6-18-3-9-20(26)10-4-18/h1-16H,(H,27,29)(H,28,30) |
| InChIK | COOPOSKDFBUARX-UHFFFAOYSA-N |
| TotalMolweight | 437.325 |
| Molweight | 437.325 |
| MonoisotopicMass | 436.074532 |
| CLogP | 5.825 |
| CLogS | -6.852 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 335.04 |
| Relative PSA | 0.14625 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.36294 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 18 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide