(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(3-nitrophenyl)prop-2-enamide
Formula:C16H11N3O6F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H11N3O6F2 |
| Smiles | [O-][N+](c1cccc(NC(/C=C/c(cc(cc2)[N+]([O-])=O)c2OC(F)F)=O)c1)=O |
| InChI | InChI=1S/C16H11F2N3O6/c17-16(18)27-14-6-5-13(21(25)26)8-10(14)4-7-15(22)19-11-2-1-3-12(9-11)20(23)24/h1-9,16H,(H,19,22) |
| InChIK | CHXTWULCCZKIBF-UHFFFAOYSA-N |
| TotalMolweight | 379.274 |
| Molweight | 379.274 |
| MonoisotopicMass | 379.061593 |
| CLogP | 1.4625 |
| CLogS | -5.04 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 271.27 |
| Relative PSA | 0.35146 |
| PolarSurfaceArea | 129.97 |
| Druglikeness | -8.2389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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