| MolName | [(Z)-[2-[2-[2-[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C20H24N6O5 |
| Smiles | NC(N/N=C\c(cccc1)c1OCCOCCOc1c(/C=N\NC(N)=O)cccc1)=O |
| InChI | InChI=1S/C20H24N6O5/c21-19(27)25-23-13-15-5-1-3-7-17(15)30-11-9-29-10-12-31-18-8-4-2-6-16(18)14-24-26-20(22)28/h1-8,13-14H,9-12H2,(H3,21,25,27)(H3,22,26,28) |
| InChIK | ADFOZOCPJVRKKU-UHFFFAOYSA-N |
| TotalMolweight | 428.448 |
| Molweight | 428.448 |
| MonoisotopicMass | 428.180819 |
| CLogP | 1.8735 |
| CLogS | -5.201 |
| H Acceptors | 11 |
| H Donors | 4 |
| TotalSurfaceArea | 343.04 |
| Relative PSA | 0.38643 |
| PolarSurfaceArea | 162.65 |
| Druglikeness | -7.3394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 12 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 15 |
| Amides | 2 |
| StereoCon |
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1 - [(Z)-[2-[2-[2-[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]urea | 2 - [(Z)-[2-[2-[2-[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]ethoxy]ethoxy]phenyl]methylideneamino]urea