[(E)-2-(4-fluorophenyl)ethenyl]boronic acid
Formula:C8H8O2BF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-(4-fluorophenyl)ethenyl]boronic acid is a drug-like molecule.
| MolName | [(E)-2-(4-fluorophenyl)ethenyl]boronic acid |
| MolecularFormula | C8H8O2BF |
| Smiles | OB(/C=C/c(cc1)ccc1F)O |
| InChI | InChI=1S/C8H8BFO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,11-12H |
| InChIK | GBNJRIQSFJFDII-UHFFFAOYSA-N |
| TotalMolweight | 165.959 |
| Molweight | 165.959 |
| MonoisotopicMass | 166.060138 |
| CLogP | 2.0341 |
| CLogS | 0.085 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 133.41 |
| Relative PSA | 0.19639 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -14.138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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