SMILES:
Cc1c(CO)cccc1S(C)(=O)=OMolecular Processing
Molecular formula
C9H12O3S
Molecular weight
200.26
Exact mass
200.0507
XLogP
0.89
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
50.21
Supplementary Information
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