Ligand |
||
 | ||
| Ligand Name: p-Nitrophenyl o-Hydroxy-alpha-methylcinnamate | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1173 | PubChem: 67831993 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C\C(=C/c1ccccc1O)C(=O)Oc1ccc(cc1)[N+]([O-])=O | ||
| Standard InChI: InChI=1S/C16H13NO5/c1-11(10-12-4-2-3-5-15(12)18)16(19)22-14-8-6-13(7-9-14)17(20)21/h2-10,18H,1H3/b11-10+ | ||
| Molecular Formula: C16H13NO5 | Mol. Weight: 299.07938 | logP: 3.3093 |
| HBD: 1 | HBA: 5 | |
| #Rotatable Bonds: 4 | TPSA: 89.67 | |