| MolName | 4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C16H12N2O3F |
| Smiles | [O-]C(c1ccc(/C=N\NC(Cc(cc2)ccc2F)=O)cc1)=O |
| InChI | InChI=1S/C16H13FN2O3/c17-14-7-3-11(4-8-14)9-15(20)19-18-10-12-1-5-13(6-2-12)16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22)/p-1 |
| InChIK | WGNIVFFNEONZKF-UHFFFAOYSA-M |
| TotalMolweight | 299.28 |
| Molweight | 299.28 |
| MonoisotopicMass | 299.083196 |
| CLogP | 0.7096 |
| CLogS | -4.013 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.38 |
| Relative PSA | 0.27253 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 3.0475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]benzoate