2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H10N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H10N3O2F3S |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H10F3N3O2S/c14-13(15,16)9-3-4-12(21)19(7-9)8-11(20)18-17-6-10-2-1-5-22-10/h1-7H,8H2,(H,18,20) |
| InChIK | QCSMLDXPJCHAKY-UHFFFAOYSA-N |
| TotalMolweight | 329.301 |
| Molweight | 329.301 |
| MonoisotopicMass | 329.044581 |
| CLogP | 1.8663 |
| CLogS | -3.482 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.15 |
| Relative PSA | 0.31428 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | -0.52728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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