2-(4-fluorophenyl)sulfonyl-N'-[4-(trifluoromethoxy)anilino]oxyethanimidamide
Formula:C15H13N3O4F4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenyl)sulfonyl-N'-[4-(trifluoromethoxy)anilino]oxyethanimidamide is a drug-like molecule.
| MolName | 2-(4-fluorophenyl)sulfonyl-N'-[4-(trifluoromethoxy)anilino]oxyethanimidamide |
| MolecularFormula | C15H13N3O4F4S |
| Smiles | N/C(/CS(c(cc1)ccc1F)(=O)=O)=N\ONc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C15H13F4N3O4S/c16-10-1-7-13(8-2-10)27(23,24)9-14(20)22-26-21-11-3-5-12(6-4-11)25-15(17,18)19/h1-8,21H,9H2,(H2,20,22) |
| InChIK | LAFIVEGJTOXLCI-UHFFFAOYSA-N |
| TotalMolweight | 407.343 |
| Molweight | 407.343 |
| MonoisotopicMass | 407.056289 |
| CLogP | 3.9323 |
| CLogS | -4.362 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 274.12 |
| Relative PSA | 0.31672 |
| PolarSurfaceArea | 111.39 |
| Druglikeness | -15.516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-(4-fluorophenyl)sulfonyl-N'-[4-(trifluoromethoxy)anilino]oxyethanimidamide | 2 - 2-(4-fluorophenyl)sulfonyl-N'-[4-(trifluoromethoxy)anilino]oxyethanimidamide
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