SMILES:
CCOC(=O)c1csc(C2CCCCC2)n1Molecular Processing
Molecular formula
C12H17NO2S
Molecular weight
239.34
Exact mass
239.098
XLogP
3.37
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
63.9
Supplementary Information
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