| MolName | [(Z)-1-(3-fluorophenyl)-2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethenyl] 3-fluorobenzoate |
| MolecularFormula | C30H22N2O3F2 |
| Smiles | O=C(c1cccc(F)c1)O/C(/c1cc(F)ccc1)=C\c1nc(cccc2)c2n1CCOc1ccccc1 |
| InChI | InChI=1S/C30H22F2N2O3/c31-23-10-6-8-21(18-23)28(37-30(35)22-9-7-11-24(32)19-22)20-29-33-26-14-4-5-15-27(26)34(29)16-17-36-25-12-2-1-3-13-25/h1-15,18-20H,16-17H2 |
| InChIK | VFIUNNCCQOIQNC-UHFFFAOYSA-N |
| TotalMolweight | 496.512 |
| Molweight | 496.512 |
| MonoisotopicMass | 496.159849 |
| CLogP | 6.1881 |
| CLogS | -5.606 |
| H Acceptors | 5 |
| TotalSurfaceArea | 377.78 |
| Relative PSA | 0.13468 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | 1.1522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(Z)-1-(3-fluorophenyl)-2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethenyl] 3-fluorobenzoate | 2 - [(Z)-1-(3-fluorophenyl)-2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethenyl] 3-fluorobenzoate