SMILES:
Fc1ccc(C2CC(S)CO2)c(F)c1Molecular Processing
Molecular formula
C10H10F2OS
Molecular weight
216.25
Exact mass
216.042
XLogP
2.72
TPSA
9.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
52.44
Supplementary Information
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