| MolName | 2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate |
| MolecularFormula | C19H20N3O3 |
| Smiles | [O-]C(COc1c(/C=N\N(CC2)CCN2c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C19H21N3O3/c23-19(24)15-25-18-9-5-4-6-16(18)14-20-22-12-10-21(11-13-22)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2,(H,23,24)/p-1 |
| InChIK | VIMBCXLYHLIYQE-UHFFFAOYSA-M |
| TotalMolweight | 338.386 |
| Molweight | 338.386 |
| MonoisotopicMass | 338.150467 |
| CLogP | 0.0801 |
| CLogS | -2.971 |
| H Acceptors | 6 |
| TotalSurfaceArea | 268.96 |
| Relative PSA | 0.20795 |
| PolarSurfaceArea | 68.2 |
| Druglikeness | 6.038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(4-phenylpiperazin-1-yl)iminomethyl]phenoxy]acetate