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Ligand Download |
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| Ligand Name: 4-(3-ethylthiophen-2-yl)benzene-1,2-diol | ||
| HET ID: W29 | PubChem: 24875311 | |
| DrugBank: DB08718 | ChEMBL: CHEMBL445245 | |
| Canonical SMILES: CCc1ccsc1c1ccc(c(c1)O)O | ||
| Standard InChI: InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3 | ||
| Molecular Formula: C12H12O2S | Mol. Weight: 220.28748 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 3.3887 |
| HBD: 2 | HBA: 3 | TPSA: 68.7 |
| #Bonds: 16 | #Rotatable Bonds: 2 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 | ||