 |
| 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 |
Ligand Type: Small Molecule |