| MolName | N,N'-bis[(Z)-(2-fluorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C17H14N4O2F2 |
| Smiles | O=C(CC(N/N=C\c(cccc1)c1F)=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C17H14F2N4O2/c18-14-7-3-1-5-12(14)10-20-22-16(24)9-17(25)23-21-11-13-6-2-4-8-15(13)19/h1-8,10-11H,9H2,(H,22,24)(H,23,25) |
| InChIK | KZESBNCRKLKYQN-UHFFFAOYSA-N |
| TotalMolweight | 344.32 |
| Molweight | 344.32 |
| MonoisotopicMass | 344.108482 |
| CLogP | 3.1944 |
| CLogS | -5.016 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 267.42 |
| Relative PSA | 0.26931 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 0.17051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - N,N'-bis[(Z)-(2-fluorophenyl)methylideneamino]propanediamide | 2 - N,N'-bis[(Z)-(2-fluorophenyl)methylideneamino]propanediamide