N-[(Z)-furan-2-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C13H10N3O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C13H10N3O3F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H10F3N3O3/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 | OPIVXDSTJYLMSG-UHFFFAOYSA-N |
| TotalMolweight | 313.234 |
| Molweight | 313.234 |
| MonoisotopicMass | 313.067426 |
| CLogP | 1.1884 |
| CLogS | -3.154 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 225.9 |
| Relative PSA | 0.29531 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | -2.07 |
| Mutagenic | high |
| 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 - N-[(Z)-furan-2-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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