| MolName | (E)-N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C24H18NO2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1NC(/C=C/c1ccccc1)=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H18ClNO2/c25-21-12-10-20(11-13-21)23(27)16-8-19-6-14-22(15-7-19)26-24(28)17-9-18-4-2-1-3-5-18/h1-17H,(H,26,28) |
| InChIK | GZWNIDCGDMQIJF-UHFFFAOYSA-N |
| TotalMolweight | 387.865 |
| Molweight | 387.865 |
| MonoisotopicMass | 387.102606 |
| CLogP | 5.3865 |
| CLogS | -6.458 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 308.16 |
| Relative PSA | 0.12182 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 0.38423 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide | 2 - (E)-N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide