| MolName | 3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea |
| MolecularFormula | C22H16N3O3Cl5 |
| Smiles | O=C(Nc(cc1)ccc1Cl)N(/C=N\OCc(c(Cl)ccc1)c1Cl)OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H16Cl5N3O3/c23-14-7-9-15(10-8-14)29-22(31)30(33-12-17-20(26)5-2-6-21(17)27)13-28-32-11-16-18(24)3-1-4-19(16)25/h1-10,13H,11-12H2,(H,29,31) |
| InChIK | YYBRZVZQGIXHDG-UHFFFAOYSA-N |
| TotalMolweight | 547.652 |
| Molweight | 547.652 |
| MonoisotopicMass | 544.963427 |
| CLogP | 7.2413 |
| CLogS | -9.075 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 381.67 |
| Relative PSA | 0.15605 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 2.0225 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea | 2 - 3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea