2-(4-fluorophenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C16H12N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-fluorophenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H12N2O2F4 |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H12F4N2O2/c17-13-5-7-14(8-6-13)24-10-15(23)22-21-9-11-1-3-12(4-2-11)16(18,19)20/h1-9H,10H2,(H,22,23) |
| InChIK | MCBPMSYPGHLMEJ-UHFFFAOYSA-N |
| TotalMolweight | 340.275 |
| Molweight | 340.275 |
| MonoisotopicMass | 340.08349 |
| CLogP | 3.7256 |
| CLogS | -4.593 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.56 |
| Relative PSA | 0.18661 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.9934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-(4-fluorophenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(4-fluorophenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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