 |
| Ligand Name:
4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium |
| HET ID: IXO |
PubChem:
10104167
|
| DrugBank: - |
ChEMBL: CHEMBL3121473 |
| Canonical SMILES: C[N+](CC#CCOC1=NOCC1)(C)C |
| Standard InChI: InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 |
| Molecular Formula: C10H17N2O2+ |
Mol. Weight: 197.25418 |
Heavy Atoms: 14 |
| Charge: 1 |
Is Chiral: False |
logP: -0.118 |
| HBD: 0 |
HBA: 3 |
TPSA: 30.82 |
| #Bonds: 14 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.875 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |