| MolName | [(Z)-2-[1-(4-chlorobenzoyl)imidazol-2-yl]-1-(4-chlorophenyl)ethenyl] 4-chlorobenzoate |
| MolecularFormula | C25H15N2O3Cl3 |
| Smiles | O=C(c(cc1)ccc1Cl)n1c(/C=C(/c(cc2)ccc2Cl)\OC(c(cc2)ccc2Cl)=O)ncc1 |
| InChI | InChI=1S/C25H15Cl3N2O3/c26-19-7-1-16(2-8-19)22(33-25(32)18-5-11-21(28)12-6-18)15-23-29-13-14-30(23)24(31)17-3-9-20(27)10-4-17/h1-15H |
| InChIK | ORVRSRZXNMCSJC-UHFFFAOYSA-N |
| TotalMolweight | 497.764 |
| Molweight | 497.764 |
| MonoisotopicMass | 496.014824 |
| CLogP | 6.8443 |
| CLogS | -7.327 |
| H Acceptors | 5 |
| TotalSurfaceArea | 356.97 |
| Relative PSA | 0.15105 |
| PolarSurfaceArea | 61.19 |
| Druglikeness | 1.9071 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-2-[1-(4-chlorobenzoyl)imidazol-2-yl]-1-(4-chlorophenyl)ethenyl] 4-chlorobenzoate | 2 - [(Z)-2-[1-(4-chlorobenzoyl)imidazol-2-yl]-1-(4-chlorophenyl)ethenyl] 4-chlorobenzoate