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| Ligand Name: 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB174 |
PubChem:
71403677
|
Synonym(s):
- dtxsid50824571
- 759455-32-8
- j3.584.910f
- 3,3'-bis(sulfo)-4,4'-bis(chloroacetamido)azobenzene
- q27453507
- 4,4'-bis(chloroacetylamino)azobenzene-3,3'-disulfonic acid", "5,5'-[(e)-azo]bis[2-(chloroacetylamino)benzenesulfonic acid]", "(z)-4,4'-bis(chloroacetylamino)azobenzene-3,3'-disulfonic acid", "3,3'-[(e)-diazenediyl]bis[6-(2-chloroacetamido)benzene-1-sulfonic acid]"]
show 5 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl |
| Standard InChI: InChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+ |
| Molecular Formula: C16H14Cl2N4O8S2 |
Mol. Weight: 523.963 |
logP: 2.95 |
| HBD: 4 | HBA: 8 |
| #Rotatable Bonds: 8 | TPSA: 191.66 |