| MolName | 2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol |
| MolecularFormula | C22H28N2O2S2 |
| Smiles | OCCSCC/C(/c1ccccc1)=N\N=C(\CCSCCO)/c1ccccc1 |
| InChI | InChI=1S/C22H28N2O2S2/c25-13-17-27-15-11-21(19-7-3-1-4-8-19)23-24-22(12-16-28-18-14-26)20-9-5-2-6-10-20/h1-10,25-26H,11-18H2 |
| InChIK | ZLNPVJFWPXYFSD-UHFFFAOYSA-N |
| TotalMolweight | 416.608 |
| Molweight | 416.608 |
| MonoisotopicMass | 416.159218 |
| CLogP | 5.0092 |
| CLogS | -5.592 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 336.72 |
| Relative PSA | 0.25006 |
| PolarSurfaceArea | 115.78 |
| Druglikeness | 0.64442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 13 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol | 2 - 2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol