Chemical Name - Phenyl Boronic Acid
Mol Weight - 121.931
Smiles - OB(c1ccccc1)O
Mol Weight - 121.931
Smiles - OB(c1ccccc1)O
| Property Value | |
| Mol Name | Phenyl Boronic Acid |
| Molweight | 121.931 |
| Monoisotopic Mass | 122.05391 |
| Clogp | 1.383 |
| Clogs | 1.105 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 100.56 |
| Relative Psa | 0.26054 |
| Polar Surface Area | 40.46 |
| Druglikeness | -13.339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.35005 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 3 |
| Smiles | OB(c1ccccc1)O |
| InChIKey | InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H |
| InChI | HXITXNWTGFUOAU-UHFFFAOYSA-N |
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