 |
| Ligand Name:
dodecyl 2-(trimethylammonio)ethyl phosphate |
| HET ID: DPV |
PubChem:
644308
|
| DrugBank: - |
ChEMBL: CHEMBL229565 |
| Canonical SMILES: CCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-] |
| Standard InChI: InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3 |
| Molecular Formula: C17H38NO4P |
Mol. Weight: 351.46167 |
Heavy Atoms: 23 |
| Charge: 0 |
Is Chiral: False |
logP: 5.1853 |
| HBD: 0 |
HBA: 4 |
TPSA: 68.4 |
| #Bonds: 22 |
#Rotatable Bonds: 16 |
Shape Complexity: 1.0 |
| Stereocomplexity: 0.05882353 |
Ligand Type: Small Molecule |