| MolName | 3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N3O2F2 |
| Smiles | O=C(CNC(c1cccc(F)c1)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H13F2N3O2/c17-13-6-4-11(5-7-13)9-20-21-15(22)10-19-16(23)12-2-1-3-14(18)8-12/h1-9H,10H2,(H,19,23)(H,21,22) |
| InChIK | ZALODVRXOKDCNY-UHFFFAOYSA-N |
| TotalMolweight | 317.294 |
| Molweight | 317.294 |
| MonoisotopicMass | 317.097583 |
| CLogP | 2.4869 |
| CLogS | -4.116 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.66 |
| Relative PSA | 0.24936 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3-fluoro-N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide