SMILES:
CSc1cc(C(F)(F)F)ccc1C#CC(=O)C1CC1Molecular Processing
Molecular formula
C14H11F3OS
Molecular weight
284.3
Exact mass
284.0483
XLogP
3.76
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
67.83
Supplementary Information
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