| MolName | 2-(2-chlorophenoxy)-N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H14N2O2Cl2 |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\C=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H14Cl2N2O2/c18-14-8-2-1-6-13(14)7-5-11-20-21-17(22)12-23-16-10-4-3-9-15(16)19/h1-11H,12H2,(H,21,22) |
| InChIK | CPPGTXFDJBFMIN-UHFFFAOYSA-N |
| TotalMolweight | 349.216 |
| Molweight | 349.216 |
| MonoisotopicMass | 348.043232 |
| CLogP | 4.0068 |
| CLogS | -5.265 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.09 |
| Relative PSA | 0.17162 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2972 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]acetamide