| MolName | 2-[2-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C17H14N2O5F |
| Smiles | [O-]C(COc1c(/C=N\NC(COc(cc2)ccc2F)=O)cccc1)=O |
| InChI | InChI=1S/C17H15FN2O5/c18-13-5-7-14(8-6-13)24-10-16(21)20-19-9-12-3-1-2-4-15(12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)/p-1 |
| InChIK | MKTTYCLXISZTNO-UHFFFAOYSA-M |
| TotalMolweight | 345.305 |
| Molweight | 345.305 |
| MonoisotopicMass | 345.088676 |
| CLogP | -0.1387 |
| CLogS | -3.608 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.14 |
| Relative PSA | 0.31311 |
| PolarSurfaceArea | 100.05 |
| Druglikeness | 2.9064 |
| 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 | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate