| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide |
| MolecularFormula | C26H19N2O3Cl2F |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C26H19Cl2FN2O3/c27-19-8-12-25(23(28)13-19)34-16-26(32)31-30-14-22-21-4-2-1-3-18(21)7-11-24(22)33-15-17-5-9-20(29)10-6-17/h1-14H,15-16H2,(H,31,32) |
| InChIK | VWFUHYBKMHBNMU-UHFFFAOYSA-N |
| TotalMolweight | 497.352 |
| Molweight | 497.352 |
| MonoisotopicMass | 496.075675 |
| CLogP | 6.6318 |
| CLogS | -8.234 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.06 |
| Relative PSA | 0.15301 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.8878 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide