LigandBoxID:PDB_CSN

NAME:CSN;N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM
SMILES: ON(c1ccc(c(OS(=O)(=O)O)c1)O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CSN(PDBeCHEM) CSN(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H4NO7S 234.163 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 1.0421 -7.2000
LOGS LOGP    
-1.7358 1.8497    

Links to the same SMILES compounds

LIGANDBOX HTS1610-04880966
ZINC ZINC02046903 ZINC19850149
PUBCHEM 16219779 165879 28405226 3921063 43835025
45052178


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