N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C22H16N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C22H16N2O2F4 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)ccc1OCc(cccc1)c1F |
| InChI | InChI=1S/C22H16F4N2O2/c23-20-7-2-1-4-17(20)14-30-19-10-8-15(9-11-19)13-27-28-21(29)16-5-3-6-18(12-16)22(24,25)26/h1-13H,14H2,(H,28,29) |
| InChIK | JXIGDGXNZPKRMN-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 | 4 |
| StereoCon |
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