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Ligand Download |
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| Ligand Name: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid | ||
| HET ID: GOQ | PubChem: 2236 | |
| DrugBank: - | ChEMBL: CHEMBL93353 | |
| Canonical SMILES: COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O | ||
| Standard InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) | ||
| Molecular Formula: C17H11NO7 | Mol. Weight: 341.27173 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 3.8599 |
| HBD: 1 | HBA: 5 | TPSA: 110.81 |
| #Bonds: 28 | #Rotatable Bonds: 3 | Shape Complexity: 0.11764706 |
| Stereocomplexity: 0.0 | ||