Ligand |
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| Ligand Name: METHYL 4-NITROPHENYL HEXYLPHOSPHONATE | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1093 | PubChem: 97103337 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCCCCC[P@@](=O)(OC)Oc1ccc([N+]([O-])=O)cc1 | ||
| Standard InChI: InChI=1S/C13H20NO5P/c1-3-4-5-6-11-20(17,18-2)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3/t20-/m1/s1 | ||
| Molecular Formula: C13H20NO5P | Mol. Weight: 301.1079 | logP: 4.3934 |
| HBD: 0 | HBA: 5 | |
| #Rotatable Bonds: 9 | TPSA: 78.67 | |