| MolName | 2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C17H15N2O4 |
| Smiles | [O-]C(COc1c(/C=N\NC(Cc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C17H16N2O4/c20-16(10-13-6-2-1-3-7-13)19-18-11-14-8-4-5-9-15(14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)/p-1 |
| InChIK | OKLQDWMQYRWFIC-UHFFFAOYSA-M |
| TotalMolweight | 311.316 |
| Molweight | 311.316 |
| MonoisotopicMass | 311.103183 |
| CLogP | 0.1837 |
| CLogS | -3.479 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.79 |
| Relative PSA | 0.29357 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 4.2659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate