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Ligand Download |
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| Ligand Name: [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL | ||
| HET ID: HNT | PubChem: 10822243 | |
| DrugBank: DB07906 | ChEMBL: CHEMBL293700 | |
| Canonical SMILES: OC[C@@H]1NCc2c(C1)ccc(c2)[N+](=O)[O-] | ||
| Standard InChI: InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1 | ||
| Molecular Formula: C10H12N2O3 | Mol. Weight: 208.21388 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: True | logP: 1.4534 |
| HBD: 2 | HBA: 2 | TPSA: 78.08 |
| #Bonds: 17 | #Rotatable Bonds: 2 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.1 | ||