4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
Formula:C21H15N2O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N2O2Cl2F |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H15Cl2FN2O2/c22-19-10-3-15(11-20(19)23)13-28-18-8-4-16(5-9-18)21(27)26-25-12-14-1-6-17(24)7-2-14/h1-12H,13H2,(H,26,27) |
| InChIK | SDOXCCWIXLROLL-UHFFFAOYSA-N |
| TotalMolweight | 417.266 |
| Molweight | 417.266 |
| MonoisotopicMass | 416.04946 |
| CLogP | 5.8625 |
| CLogS | -6.848 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.7 |
| Relative PSA | 0.14953 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide | 2 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off