4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide
Formula:C21H14N2O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H14N2O2Cl4 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H14Cl4N2O2/c22-17-7-1-13(9-19(17)24)11-26-27-21(28)15-3-5-16(6-4-15)29-12-14-2-8-18(23)20(25)10-14/h1-11H,12H2,(H,27,28) |
| InChIK | KFLIIZILEINZCL-UHFFFAOYSA-N |
| TotalMolweight | 468.166 |
| Molweight | 468.166 |
| MonoisotopicMass | 465.980936 |
| CLogP | 6.9737 |
| CLogS | -8.006 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.19 |
| Relative PSA | 0.13851 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide | 2 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off