N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C16H10N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C16H10N3O2Cl2F3 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H10Cl2F3N3O2/c17-11-5-4-9(13(18)7-11)8-22-24-15(26)14(25)23-12-3-1-2-10(6-12)16(19,20)21/h1-8H,(H,23,25)(H,24,26) |
| InChIK | GAMQKSFNWTUCPE-UHFFFAOYSA-N |
| TotalMolweight | 404.174 |
| Molweight | 404.174 |
| MonoisotopicMass | 403.010215 |
| CLogP | 4.2042 |
| CLogS | -5.775 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.5 |
| Relative PSA | 0.21884 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off