| MolName | [(Z)-1-(4-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 4-chlorobenzoate |
| MolecularFormula | C29H19N2O2Cl3 |
| Smiles | O=C(c(cc1)ccc1Cl)O/C(/c(cc1)ccc1Cl)=C\c1nc(cccc2)c2n1Cc(cccc1)c1Cl |
| InChI | InChI=1S/C29H19Cl3N2O2/c30-22-13-9-19(10-14-22)27(36-29(35)20-11-15-23(31)16-12-20)17-28-33-25-7-3-4-8-26(25)34(28)18-21-5-1-2-6-24(21)32/h1-17H,18H2 |
| InChIK | FEALOMNWGXHULI-UHFFFAOYSA-N |
| TotalMolweight | 533.841 |
| Molweight | 533.841 |
| MonoisotopicMass | 532.051209 |
| CLogP | 7.8873 |
| CLogS | -7.021 |
| H Acceptors | 4 |
| TotalSurfaceArea | 387.58 |
| Relative PSA | 0.10547 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 2.1027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(Z)-1-(4-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 4-chlorobenzoate | 2 - [(Z)-1-(4-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 4-chlorobenzoate