SMILES:
Cc1ccc(S(=O)(=O)OCC2C3C=CC(O3)C2C(C)(C)O)cc1Molecular Processing
Molecular formula
C17H22O5S
Molecular weight
338.43
Exact mass
338.1188
XLogP
2.04
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
85.4
Supplementary Information
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