N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C22H16N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C22H16N3O4F3 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(c3cccc(C(F)(F)F)c3)=O)cc2)cc1)=O |
| InChI | InChI=1S/C22H16F3N3O4/c23-22(24,25)18-3-1-2-17(12-18)21(29)27-26-13-15-6-10-20(11-7-15)32-14-16-4-8-19(9-5-16)28(30)31/h1-13H,14H2,(H,27,29) |
| InChIK | SOQCWBZSZGKYJT-UHFFFAOYSA-N |
| TotalMolweight | 443.38 |
| Molweight | 443.38 |
| MonoisotopicMass | 443.109291 |
| CLogP | 4.4764 |
| CLogS | -6.3 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.64 |
| Relative PSA | 0.23616 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -8.3057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off