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| Ligand Name: 2-boronic acid-1-[(1E)-2-(3-boronic acid)ethenyl]-4-chlorobenzene |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB384 |
PubChem:
131633025
|
Synonym(s):
- chembl4065175
- bdbm50241615
- 7uv
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4065175 |
| Canonical SMILES: OB(O)c1cccc(c1)/C=C/c2ccc(cc2Cl)B(O)O |
| Standard InChI: InChI=1S/C14H13B2ClO4/c17-14-9-13(16(20)21)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,18-21H/b5-4+ |
| Molecular Formula: C14H13B2ClO4 |
Mol. Weight: 302.06885 |
logP: -0.13 |
| HBD: 4 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 80.92 |