Ligand |
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| Ligand Name: ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide | ||
| HET ID: FHQ | PubChem: 9563325 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1=CC(=CC=C1C=NNC(=O)CC2=NNN=N2)Br | ||
| Standard InChI: InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17) | ||
| Molecular Formula: C10H9BrN6O | Mol. Weight: 309.12207 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 1.0459 |
| HBD: 2 | HBA: 6 | TPSA: 95.92 |
| #Bonds: 19 | #Rotatable Bonds: 5 | Shape Complexity: 0.1 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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