Ligand |
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| Ligand Name: 2-[(2-nitrophenyl)sulfanyl]acetohydrazide | ||
| HET ID: J4J | PubChem: 2807216 | |
| DrugBank: - | ChEMBL: CHEMBL3727969 | |
| Canonical SMILES: NNC(=O)CSc1ccccc1[N+](=O)[O-] | ||
| Standard InChI: InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12) | ||
| Molecular Formula: C8H9N3O3S | Mol. Weight: 227.24036 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 2.2912 |
| HBD: 2 | HBA: 4 | TPSA: 126.24 |
| #Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 0.125 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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