SMILES:
COc1ccc(C(=O)O)s1Molecular Processing
Molecular formula
C6H6O3S
Molecular weight
158.18
Exact mass
158.0038
XLogP
1.45
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
37.83
Supplementary Information
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