SMILES:
CCCCCCC1COc2cscc2O1Molecular Processing
Molecular formula
C12H18O2S
Molecular weight
226.34
Exact mass
226.1028
XLogP
3.86
TPSA
18.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
62.99
Supplementary Information
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