 |
| Ligand Name: PETFP |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB924 |
PubChem:
44569911
|
Synonym(s):
- chembl460809
- 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
- 382616-71-9
- dtxsid50659522
- bdbm50412689
- 3-phenethylthio-1,1,1-trifluoropropan-2-one
- q27461282
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL460809 |
| Canonical SMILES: c1ccccc1CCSCC(=O)C(F)(F)F |
| Standard InChI: InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| Molecular Formula: C11H11F3OS |
Mol. Weight: 248.04826 |
logP: 3.0937 |
| HBD: 0 | HBA: 2 |
| #Rotatable Bonds: 5 | TPSA: 17.07 |