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Ligand Download |
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| Ligand Name: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE] | ||
| HET ID: DTC | PubChem: 17753965, 4474225 | |
| DrugBank: DB04392 | ChEMBL: CHEMBL1232382 | |
| Canonical SMILES: O=C1Oc2ccccc2C(=O)C1CC1C(=O)Oc2c(C1=O)cccc2 | ||
| Standard InChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2 | ||
| Molecular Formula: C19H12O6 | Mol. Weight: 336.29498 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 2.2127 |
| HBD: 0 | HBA: 6 | TPSA: 86.74 |
| #Bonds: 28 | #Rotatable Bonds: 2 | Shape Complexity: 0.15789473 |
| Stereocomplexity: 0.10526316 | ||