| MolName | 4-(2,4-dichlorophenoxy)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]butanehydrazide |
| MolecularFormula | C19H17N2O3Cl2F |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)NNC(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C19H17Cl2FN2O3/c20-14-6-9-17(16(21)12-14)27-11-1-2-18(25)23-24-19(26)10-5-13-3-7-15(22)8-4-13/h3-10,12H,1-2,11H2,(H,23,25)(H,24,26) |
| InChIK | UCHCWTNFXBHYQV-UHFFFAOYSA-N |
| TotalMolweight | 411.259 |
| Molweight | 411.259 |
| MonoisotopicMass | 410.060025 |
| CLogP | 3.7433 |
| CLogS | -5.786 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 306.41 |
| Relative PSA | 0.19255 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -4.7424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(4-fluorophenyl)prop-2-enoyl]butanehydrazide | 2 - 4-(2,4-dichlorophenoxy)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]butanehydrazide