N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Formula:C18H12N2O3Cl2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,5-bis(2,2,2-trifluoroethoxy)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,5-bis(2,2,2-trifluoroethoxy)benzamide |
| MolecularFormula | C18H12N2O3Cl2F6 |
| Smiles | O=C(c(cc(cc1)OCC(F)(F)F)c1OCC(F)(F)F)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H12Cl2F6N2O3/c19-11-2-1-10(14(20)5-11)7-27-28-16(29)13-6-12(30-8-17(21,22)23)3-4-15(13)31-9-18(24,25)26/h1-7H,8-9H2,(H,28,29) |
| InChIK | KGXYGGHVJGULDN-UHFFFAOYSA-N |
| TotalMolweight | 489.198 |
| Molweight | 489.198 |
| MonoisotopicMass | 488.012915 |
| CLogP | 6.0548 |
| CLogS | -7.309 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.27 |
| Relative PSA | 0.17273 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.6731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,5-bis(2,2,2-trifluoroethoxy)benzamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off