 |
| Ligand Name:
~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide |
| HET ID: SY4 |
PubChem:
43550982
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCS(=O)(=O)Nc1cc(N)c(cc1F)F |
| Standard InChI: InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3 |
| Molecular Formula: C9H12F2N2O2S |
Mol. Weight: 250.26558 |
Heavy Atoms: 16 |
| Charge: 0 |
Is Chiral: False |
logP: 3.4337 |
| HBD: 2 |
HBA: 4 |
TPSA: 80.57 |
| #Bonds: 16 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |