| MolName | 4-(2,4-dichlorophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]butanehydrazide |
| MolecularFormula | C19H18N2O3Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)NNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C19H18Cl2N2O3/c20-15-9-10-17(16(21)13-15)26-12-4-7-18(24)22-23-19(25)11-8-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,23,25) |
| InChIK | RLNWILFYSXYZLL-UHFFFAOYSA-N |
| TotalMolweight | 393.269 |
| Molweight | 393.269 |
| MonoisotopicMass | 392.069447 |
| CLogP | 3.6425 |
| CLogS | -5.472 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.06 |
| Relative PSA | 0.19663 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -3.4024 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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'-[(E)-3-phenylprop-2-enoyl]butanehydrazide | 2 - 4-(2,4-dichlorophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]butanehydrazide