SMILES:
CCOC(=O)c1cccc(SC2CCC2)n1Molecular Processing
Molecular formula
C12H15NO2S
Molecular weight
237.32
Exact mass
237.0823
XLogP
2.9
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
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
0.5
Molar refractivity
63.69
Supplementary Information
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