| MolName | 4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide |
| MolecularFormula | C19H18N2O2Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H18Cl2N2O2/c20-16-10-11-18(17(21)14-16)25-13-5-9-19(24)23-22-12-4-8-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,23,24) |
| InChIK | GDRJVUSIDRDHKI-UHFFFAOYSA-N |
| TotalMolweight | 377.27 |
| Molweight | 377.27 |
| MonoisotopicMass | 376.074532 |
| CLogP | 4.9156 |
| CLogS | -5.805 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.61 |
| Relative PSA | 0.15564 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 0.22101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide | 2 - 4-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanamide