SMILES:
COC1(c2cccc(S)c2)CCOCC1Molecular Processing
Molecular formula
C12H16O2S
Molecular weight
224.32
Exact mass
224.0871
XLogP
2.63
TPSA
18.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
62.43
Supplementary Information
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