 |
| Ligand Name:
~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide |
| HET ID: 7JB |
PubChem:
2829333
|
| DrugBank: - |
ChEMBL: CHEMBL4290650 |
| Canonical SMILES: O=C1c2cc(ccc2C(=O)c2c1cccc2)S(=O)(=O)NC(C)(C)C |
| Standard InChI: InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3 |
| Molecular Formula: C18H17NO4S |
Mol. Weight: 343.39688 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 4.0105 |
| HBD: 1 |
HBA: 5 |
TPSA: 88.69 |
| #Bonds: 26 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |