 |
| Ligand Name: dodecyl 4-nitrophenyl (3-azidopropyl)phosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB86 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1 |
| Standard InChI: InChI=1S/C21H35N4O5P/c1-2-3-4-5-6-7-8-9-10-11-18-29-31(28,19-12-17-23-24-22)30-21-15-13-20(14-16-21)25(26)27/h13-16H,2-12,17-19H2,1H3/t31-/m0/s1 |
| Molecular Formula: C21H35N4O5P |
Mol. Weight: 454.2345 |
logP: 7.8046 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 19 | TPSA: 127.43 |