4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C21H11N2O2Cl2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H11N2O2Cl2F5 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C21H11Cl2F5N2O2/c22-14-6-1-10(7-15(14)23)9-32-12-4-2-11(3-5-12)21(31)30-29-8-13-16(24)18(26)20(28)19(27)17(13)25/h1-8H,9H2,(H,30,31) |
| InChIK | CZPLPJWBSYSDTM-UHFFFAOYSA-N |
| TotalMolweight | 489.226 |
| Molweight | 489.226 |
| MonoisotopicMass | 488.011772 |
| CLogP | 6.2657 |
| CLogS | -8.104 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 333.1 |
| Relative PSA | 0.13813 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide | 2 - 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off