(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C17H11N2O4F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C17H11N2O4F5 |
| Smiles | [O-][N+](c(cc1)cc(/C=C/C(Nc2cccc(C(F)(F)F)c2)=O)c1OC(F)F)=O |
| InChI | InChI=1S/C17H11F5N2O4/c18-16(19)28-14-6-5-13(24(26)27)8-10(14)4-7-15(25)23-12-3-1-2-11(9-12)17(20,21)22/h1-9,16H,(H,23,25) |
| InChIK | IGKLLHAXEYGDFI-UHFFFAOYSA-N |
| TotalMolweight | 402.274 |
| Molweight | 402.274 |
| MonoisotopicMass | 402.063898 |
| CLogP | 3.2324 |
| CLogS | -5.358 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.06 |
| Relative PSA | 0.23432 |
| PolarSurfaceArea | 84.15 |
| Druglikeness | -12.389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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