N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[4-(trifluoromethylsulfanyl)phenoxy]acetamide
Formula:C16H12N2O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[4-(trifluoromethylsulfanyl)phenoxy]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[4-(trifluoromethylsulfanyl)phenoxy]acetamide |
| MolecularFormula | C16H12N2O2ClF3S |
| Smiles | O=C(COc(cc1)ccc1SC(F)(F)F)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12ClF3N2O2S/c17-12-3-1-11(2-4-12)9-21-22-15(23)10-24-13-5-7-14(8-6-13)25-16(18,19)20/h1-9H,10H2,(H,22,23) |
| InChIK | NMILVMXSIZSEQH-UHFFFAOYSA-N |
| TotalMolweight | 388.796 |
| Molweight | 388.796 |
| MonoisotopicMass | 388.026009 |
| CLogP | 5.9237 |
| CLogS | -5.944 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.12 |
| Relative PSA | 0.2325 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 0.030729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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