SMILES:
COC(OC)C(=O)c1cc2ccccc2s1Molecular Processing
Molecular formula
C12H12O3S
Molecular weight
236.29
Exact mass
236.0507
XLogP
2.7
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
63.96
Supplementary Information
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