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| Ligand Name: 1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB961 |
PubChem:
131633024
|
Synonym(s):
- chembl4078202
- [(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
- bdbm50241612
- iww
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL4078202 |
| Canonical SMILES: OB(O)c1ccc(c(Cl)c1)/C=C/c2ccc(cc2Cl)B(O)O |
| Standard InChI: InChI=1S/C14H12B2Cl2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8,19-22H/b2-1+ |
| Molecular Formula: C14H12B2Cl2O4 |
Mol. Weight: 336.02988 |
logP: 0.5234 |
| HBD: 4 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 80.92 |