SMILES:
OCCC1COc2cscc2O1Molecular Processing
Molecular formula
C8H10O3S
Molecular weight
186.23
Exact mass
186.0351
XLogP
1.27
TPSA
38.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
45.93
Supplementary Information
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