| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H12N2O3Cl4 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H12Cl4N2O3/c20-12-2-5-18(16(23)8-12)27-10-19(26)25-24-9-13-3-6-17(28-13)11-1-4-14(21)15(22)7-11/h1-9H,10H2,(H,25,26) |
| InChIK | JPUOHXYUGLBARG-UHFFFAOYSA-N |
| TotalMolweight | 458.127 |
| Molweight | 458.127 |
| MonoisotopicMass | 455.960201 |
| CLogP | 6.1394 |
| CLogS | -7.905 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.88 |
| Relative PSA | 0.18678 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 6.4337 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide