2-(2-nitropyridin-3-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:C14H10N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-nitropyridin-3-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | 2-(2-nitropyridin-3-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C14H10N3O4F3 |
| Smiles | [O-][N+](c(nccc1)c1OCC(Nc1cccc(C(F)(F)F)c1)=O)=O |
| InChI | InChI=1S/C14H10F3N3O4/c15-14(16,17)9-3-1-4-10(7-9)19-12(21)8-24-11-5-2-6-18-13(11)20(22)23/h1-7H,8H2,(H,19,21) |
| InChIK | KRRSCUFPBNIQCV-UHFFFAOYSA-N |
| TotalMolweight | 341.244 |
| Molweight | 341.244 |
| MonoisotopicMass | 341.062341 |
| CLogP | 1.6592 |
| CLogS | -3.876 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 237.88 |
| Relative PSA | 0.31903 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -11.605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-nitropyridin-3-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide | 2 - 2-(2-nitropyridin-3-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
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