| MolName | 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C17H14N2O5Cl |
| Smiles | [O-]C(COc1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C17H15ClN2O5/c18-13-3-7-15(8-4-13)24-10-16(21)20-19-9-12-1-5-14(6-2-12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)/p-1 |
| InChIK | WFFRYHODMIQIEC-UHFFFAOYSA-M |
| TotalMolweight | 361.76 |
| Molweight | 361.76 |
| MonoisotopicMass | 361.059125 |
| CLogP | 0.3665 |
| CLogS | -4.03 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.21 |
| Relative PSA | 0.30279 |
| PolarSurfaceArea | 100.05 |
| Druglikeness | 4.2862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate