[(E)-2-phenylethenyl]boronic acid
Formula:C8H9O2B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-phenylethenyl]boronic acid is a drug-like molecule.
| MolName | [(E)-2-phenylethenyl]boronic acid |
| MolecularFormula | C8H9O2B |
| Smiles | OB(/C=C/c1ccccc1)O |
| InChI | InChI=1S/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H |
| InChIK | VKIJXFIYBAYHOE-UHFFFAOYSA-N |
| TotalMolweight | 147.968 |
| Molweight | 147.968 |
| MonoisotopicMass | 148.06956 |
| CLogP | 1.9333 |
| CLogS | 0.399 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 127.06 |
| Relative PSA | 0.2062 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -12.798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-2-phenylethenyl]boronic acid | 2 - [(E)-2-phenylethenyl]boronic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off