SMILES:
Cc1cc(C(=O)O)cc(-c2ccsc2)c1Molecular Processing
Molecular formula
C12H10O2S
Molecular weight
218.28
Exact mass
218.0402
XLogP
3.42
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
61.45
Supplementary Information
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