1-[(E)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
Formula:C18H13N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is a drug-like molecule.
| MolName | 1-[(E)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole |
| MolecularFormula | C18H13N2OCl3S |
| Smiles | Clc(cc1)ccc1SCO/C(/c(ccc(Cl)c1)c1Cl)=C/n1cncc1 |
| InChI | InChI=1S/C18H13Cl3N2OS/c19-13-1-4-15(5-2-13)25-12-24-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21/h1-11H,12H2 |
| InChIK | IZKVSASIQOLXFE-UHFFFAOYSA-N |
| TotalMolweight | 411.739 |
| Molweight | 411.739 |
| MonoisotopicMass | 409.981414 |
| CLogP | 4.9555 |
| CLogS | -6.374 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.96 |
| Relative PSA | 0.15473 |
| PolarSurfaceArea | 52.35 |
| Druglikeness | 1.7895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole | 2 - 1-[(E)-2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
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