2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxy-N-(thiophen-2-ylmethyl)acetamide
Formula:C16H14N3O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxy-N-(thiophen-2-ylmethyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxy-N-(thiophen-2-ylmethyl)acetamide |
| MolecularFormula | C16H14N3O3F3S |
| Smiles | O=C(CO/N=C\C(Nc1cc(C(F)(F)F)ccc1)=O)NCc1cccs1 |
| InChI | InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-3-1-4-12(7-11)22-14(23)9-21-25-10-15(24)20-8-13-5-2-6-26-13/h1-7,9H,8,10H2,(H,20,24)(H,22,23) |
| InChIK | FGVSICKIVGGBKY-UHFFFAOYSA-N |
| TotalMolweight | 385.365 |
| Molweight | 385.365 |
| MonoisotopicMass | 385.070796 |
| CLogP | 2.2657 |
| CLogS | -3.923 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 279.12 |
| Relative PSA | 0.32556 |
| PolarSurfaceArea | 108.03 |
| Druglikeness | -2.6888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxy-N-(thiophen-2-ylmethyl)acetamide | 2 - 2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxy-N-(thiophen-2-ylmethyl)acetamide
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