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| Ligand Name: hexadecyl 4-nitrophenyl (3-azidopropyl)phosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB88 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1 |
| Standard InChI: InChI=1S/C25H43N4O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-35(32,23-16-21-27-28-26)34-25-19-17-24(18-20-25)29(30)31/h17-20H,2-16,21-23H2,1H3/t35-/m0/s1 |
| Molecular Formula: C25H43N4O5P |
Mol. Weight: 510.29712 |
logP: 9.365 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 23 | TPSA: 127.43 |