 |
| 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 |
Ligand Type: Small Molecule |