| MolName | [(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate |
| MolecularFormula | C29H20N2O2F2 |
| Smiles | O=C(c(cc1)ccc1F)O/C(/c(cc1)ccc1F)=C\c1nc(cccc2)c2n1Cc1ccccc1 |
| InChI | InChI=1S/C29H20F2N2O2/c30-23-14-10-21(11-15-23)27(35-29(34)22-12-16-24(31)17-13-22)18-28-32-25-8-4-5-9-26(25)33(28)19-20-6-2-1-3-7-20/h1-18H,19H2 |
| InChIK | VQIOMNYJEGBNGE-UHFFFAOYSA-N |
| TotalMolweight | 466.486 |
| Molweight | 466.486 |
| MonoisotopicMass | 466.149284 |
| CLogP | 6.2709 |
| CLogS | -5.441 |
| H Acceptors | 4 |
| TotalSurfaceArea | 354.02 |
| Relative PSA | 0.11547 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 0.68551 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate | 2 - [(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate