[(E)-2-(furan-2-yl)ethenyl]boronic acid
Formula:C6H7O3B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-(furan-2-yl)ethenyl]boronic acid is a drug-like molecule.
| MolName | [(E)-2-(furan-2-yl)ethenyl]boronic acid |
| MolecularFormula | C6H7O3B |
| Smiles | OB(/C=C/c1ccco1)O |
| InChI | InChI=1S/C6H7BO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5,8-9H |
| InChIK | RZUUIJWHYBJOOC-UHFFFAOYSA-N |
| TotalMolweight | 137.93 |
| Molweight | 137.93 |
| MonoisotopicMass | 138.048825 |
| CLogP | 1.122 |
| CLogS | 0.717 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 116.75 |
| Relative PSA | 0.34527 |
| PolarSurfaceArea | 53.6 |
| Druglikeness | -12.313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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