| MolName | 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H22N2O3ClF |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C28H22ClFN2O3/c29-24-9-1-21(2-10-24)18-35-27-15-7-23(8-16-27)28(33)32-31-17-20-5-13-26(14-6-20)34-19-22-3-11-25(30)12-4-22/h1-17H,18-19H2,(H,32,33) |
| InChIK | DNTMZEOTZORYNY-UHFFFAOYSA-N |
| TotalMolweight | 488.945 |
| Molweight | 488.945 |
| MonoisotopicMass | 488.130298 |
| CLogP | 6.6046 |
| CLogS | -7.453 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 375.8 |
| Relative PSA | 0.14904 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide