(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-pyridin-4-ylprop-2-enamide
Formula:C15H11N3O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-pyridin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-pyridin-4-ylprop-2-enamide |
| MolecularFormula | C15H11N3O4F2 |
| Smiles | [O-][N+](c(cc1)cc(/C=C/C(Nc2ccncc2)=O)c1OC(F)F)=O |
| InChI | InChI=1S/C15H11F2N3O4/c16-15(17)24-13-3-2-12(20(22)23)9-10(13)1-4-14(21)19-11-5-7-18-8-6-11/h1-9,15H,(H,18,19,21) |
| InChIK | VTXFBZPVEMGAHK-UHFFFAOYSA-N |
| TotalMolweight | 335.265 |
| Molweight | 335.265 |
| MonoisotopicMass | 335.071763 |
| CLogP | 1.3832 |
| CLogS | -3.785 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 246.36 |
| Relative PSA | 0.30805 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -8.2389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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