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Ligand Download |
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| Ligand Name: P-NITROPHENYL-PHOSPHOCHOLINE | ||
| HET ID: NCH | PubChem: 445100 | |
| DrugBank: - | ChEMBL: CHEMBL1234651 | |
| Canonical SMILES: O[P@](=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1 | ||
| Molecular Formula: C11H18N2O6P+ | Mol. Weight: 305.24417 | Heavy Atoms: 20 |
| Charge: 1 | Is Chiral: False | logP: 2.32 |
| HBD: 1 | HBA: 4 | TPSA: 111.39 |
| #Bonds: 20 | #Rotatable Bonds: 7 | Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.09090909 | ||