 |
| 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 |
Ligand Type: Small Molecule |