2-[(4-fluorophenyl)methoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C22H16N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-fluorophenyl)methoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-[(4-fluorophenyl)methoxy]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N2O2F4 |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H16F4N2O2/c23-18-11-7-16(8-12-18)14-30-20-4-2-1-3-19(20)21(29)28-27-13-15-5-9-17(10-6-15)22(24,25)26/h1-13H,14H2,(H,28,29) |
| InChIK | XRTCIPVXUDXGBX-UHFFFAOYSA-N |
| TotalMolweight | 416.373 |
| Molweight | 416.373 |
| MonoisotopicMass | 416.11479 |
| CLogP | 5.4988 |
| CLogS | -6.154 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.32 |
| Relative PSA | 0.1502 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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