COc1cc(OC(=O)c2cc(=S(=O)=O)cco2)ccc1C(=O)O
SMILES: COc1cc(OC(=O)c2cc(=S(=O)=O)cco2)ccc1C(=O)O

Molecular Processing

Molecular formula
C14H10O8S
Molecular weight
338.29
Exact mass
338.0096
XLogP
1.62
TPSA
120.11
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
75.78

Supplementary Information

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