| MolName | [(Z)-2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate |
| MolecularFormula | C30H21N2O3Cl3 |
| Smiles | O=C(c(cccc1)c1Cl)O/C(/c(cccc1)c1Cl)=C\c1nc(cccc2)c2n1CCOc(cccc1)c1Cl |
| InChI | InChI=1S/C30H21Cl3N2O3/c31-22-11-3-1-9-20(22)28(38-30(36)21-10-2-4-12-23(21)32)19-29-34-25-14-6-7-15-26(25)35(29)17-18-37-27-16-8-5-13-24(27)33/h1-16,19H,17-18H2 |
| InChIK | XZSMVWCVIPIWIC-UHFFFAOYSA-N |
| TotalMolweight | 563.867 |
| Molweight | 563.867 |
| MonoisotopicMass | 562.061774 |
| CLogP | 7.8045 |
| CLogS | -7.186 |
| H Acceptors | 5 |
| TotalSurfaceArea | 411.34 |
| Relative PSA | 0.12369 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | 2.5679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate | 2 - [(Z)-2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate