SMILES:
CCCCCOS(=O)(=O)c1ccc(C)cc1Molecular Processing
Molecular formula
C12H18O3S
Molecular weight
242.34
Exact mass
242.0977
XLogP
2.89
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
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
0.5
Molar refractivity
63.84
Supplementary Information
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