2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-1H-benzimidazole
Formula:C21H15N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-1-(benzenesulfonyl)-2-(4-fluorophenyl)ethenyl]-1H-benzimidazole |
| MolecularFormula | C21H15N2O2FS |
| Smiles | O=S(/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1F)(c1ccccc1)=O |
| InChI | InChI=1S/C21H15FN2O2S/c22-16-12-10-15(11-13-16)14-20(27(25,26)17-6-2-1-3-7-17)21-23-18-8-4-5-9-19(18)24-21/h1-14H,(H,23,24) |
| InChIK | BPHOSVBYXAXGDS-UHFFFAOYSA-N |
| TotalMolweight | 378.426 |
| Molweight | 378.426 |
| MonoisotopicMass | 378.083826 |
| CLogP | 3.6873 |
| CLogS | -3.59 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.35 |
| Relative PSA | 0.19444 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | -7.6608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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