Chemical Name - 3-Pyridineboronic Acid
Mol Weight - 122.919
Smiles - OB(c1cnccc1)O
Mol Weight - 122.919
Smiles - OB(c1cnccc1)O
| Property Value | |
| Mol Name | 3-Pyridineboronic Acid |
| Molweight | 122.919 |
| Monoisotopic Mass | 123.049159 |
| Clogp | 0.3821 |
| Clogs | 1.9 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 99.32 |
| Relative Psa | 0.37424 |
| Polar Surface Area | 53.35 |
| Druglikeness | -12.887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.35005 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | OB(c1cnccc1)O |
| InChIKey | InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H |
| InChI | ABMYEXAYWZJVOV-UHFFFAOYSA-N |
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1 - 3-Pyridineboronic Acid
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1 - 3-Pyridineboronic Acid
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