| MolName | (E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide |
| MolecularFormula | C15H9N3O3F4 |
| Smiles | [O-][N+](c1cccc(/C=C/C(NNc(c(F)c(cc2F)F)c2F)=O)c1)=O |
| InChI | InChI=1S/C15H9F4N3O3/c16-10-7-11(17)14(19)15(13(10)18)21-20-12(23)5-4-8-2-1-3-9(6-8)22(24)25/h1-7,21H,(H,20,23) |
| InChIK | MNIBCAJVBLUBPW-UHFFFAOYSA-N |
| TotalMolweight | 355.246 |
| Molweight | 355.246 |
| MonoisotopicMass | 355.058004 |
| CLogP | 3.0677 |
| CLogS | -4.824 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 249.26 |
| Relative PSA | 0.26631 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | -5.8745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide | 2 - (E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide