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| Ligand Name: 4-nitrophenyl tetradecyl (3-azidopropyl)phosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB87 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1 |
| Standard InChI: InChI=1S/C23H39N4O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-33(30,21-14-19-25-26-24)32-23-17-15-22(16-18-23)27(28)29/h15-18H,2-14,19-21H2,1H3/t33-/m0/s1 |
| Molecular Formula: C23H39N4O5P |
Mol. Weight: 482.2658 |
logP: 8.5848 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 21 | TPSA: 127.43 |