| MolName | N-[(Z)-[4-[2-[2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]aniline |
| MolecularFormula | C30H30N4O3 |
| Smiles | C(COc1ccc(/C=N\Nc2ccccc2)cc1)OCCOc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C30H30N4O3/c1-3-7-27(8-4-1)33-31-23-25-11-15-29(16-12-25)36-21-19-35-20-22-37-30-17-13-26(14-18-30)24-32-34-28-9-5-2-6-10-28/h1-18,23-24,33-34H,19-22H2 |
| InChIK | WDCYUPYRJIPOHS-UHFFFAOYSA-N |
| TotalMolweight | 494.593 |
| Molweight | 494.593 |
| MonoisotopicMass | 494.231791 |
| CLogP | 9.2847 |
| CLogS | -5.871 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 410.02 |
| Relative PSA | 0.18521 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | -9.6012 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.78378 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 14 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 22 |
| StereoCon |
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1 - N-[(Z)-[4-[2-[2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]aniline | 2 - N-[(Z)-[4-[2-[2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]aniline