 |
| Ligand Name:
4-(3-ethylthiophen-2-yl)benzene-1,2-diol |
| HET ID: W29 |
PubChem:
24875311
|
| DrugBank: DB08718 |
ChEMBL: CHEMBL445245 |
| Canonical SMILES: CCc1ccsc1c1ccc(c(c1)O)O |
| Standard InChI: InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3 |
| Molecular Formula: C12H12O2S |
Mol. Weight: 220.28748 |
Heavy Atoms: 15 |
| Charge: 0 |
Is Chiral: False |
logP: 3.3887 |
| HBD: 2 |
HBA: 3 |
TPSA: 68.7 |
| #Bonds: 16 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |