N'-[(Z)-pyridin-3-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C15H11N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-pyridin-3-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-pyridin-3-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C15H11N4O2F3 |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H11F3N4O2/c16-15(17,18)11-4-1-5-12(7-11)21-13(23)14(24)22-20-9-10-3-2-6-19-8-10/h1-9H,(H,21,23)(H,22,24) |
| InChIK | IPIZDZPMQISFFX-UHFFFAOYSA-N |
| TotalMolweight | 336.272 |
| Molweight | 336.272 |
| MonoisotopicMass | 336.08341 |
| CLogP | 1.9913 |
| CLogS | -3.508 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 244.42 |
| Relative PSA | 0.29245 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -3.4422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-pyridin-3-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-pyridin-3-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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