4-[(2-chlorophenyl)methoxy]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C22H16N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2-chlorophenyl)methoxy]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(2-chlorophenyl)methoxy]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N2O2ClF3 |
| Smiles | O=C(c(cc1)ccc1OCc(cccc1)c1Cl)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C22H16ClF3N2O2/c23-20-8-4-2-6-17(20)14-30-18-11-9-15(10-12-18)21(29)28-27-13-16-5-1-3-7-19(16)22(24,25)26/h1-13H,14H2,(H,28,29) |
| InChIK | RVWVBHONOBKENG-UHFFFAOYSA-N |
| TotalMolweight | 432.828 |
| Molweight | 432.828 |
| MonoisotopicMass | 432.085239 |
| CLogP | 6.004 |
| CLogS | -6.576 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.39 |
| Relative PSA | 0.14588 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 | 4 |
| StereoCon |
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