| MolName | [(Z)-[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C22H26N3O3Cl |
| Smiles | NC(N/N=C\c(cc(cc1)Cl)c1OCCOc1ccc(C2CCCCC2)cc1)=O |
| InChI | InChI=1S/C22H26ClN3O3/c23-19-8-11-21(18(14-19)15-25-26-22(24)27)29-13-12-28-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h6-11,14-16H,1-5,12-13H2,(H3,24,26,27) |
| InChIK | OZAODEIYQWWONK-UHFFFAOYSA-N |
| TotalMolweight | 415.919 |
| Molweight | 415.919 |
| MonoisotopicMass | 415.166269 |
| CLogP | 5.2331 |
| CLogS | -6.585 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 326.25 |
| Relative PSA | 0.21848 |
| PolarSurfaceArea | 85.94 |
| Druglikeness | -7.7557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea | 2 - [(Z)-[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]urea