SMILES:
CSc1cc(CO)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C9H9F3OS
Molecular weight
222.23
Exact mass
222.0326
XLogP
2.92
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.15
Supplementary Information
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