SMILES:
O=C(OCC1OC(O)CS1)c1ccccc1Molecular Processing
Molecular formula
C11H12O4S
Molecular weight
240.28
Exact mass
240.0456
XLogP
1.25
TPSA
55.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.06
Supplementary Information
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