 |
| Ligand Name:
4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM |
| HET ID: HI6 |
PubChem:
135590423
|
| DrugBank: - |
ChEMBL: CHEMBL385181 |
| Canonical SMILES: O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N |
| Standard InChI: InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 |
| Molecular Formula: C14H16N4O3++ |
Mol. Weight: 288.30185 |
Heavy Atoms: 21 |
| Charge: 2 |
Is Chiral: False |
logP: 0.5007 |
| HBD: 2 |
HBA: 5 |
TPSA: 92.67 |
| #Bonds: 22 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |