SMILES:
c1csc(-c2ccc(OCC3CO3)cc2)n1Molecular Processing
Molecular formula
C12H11NO2S
Molecular weight
233.29
Exact mass
233.051
XLogP
2.59
TPSA
34.65
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
62.79
Supplementary Information
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