SMILES:
N#CC(C(=S)Nc1ccc(C(F)(F)F)cc1)=C(O)C1CC1Molecular Processing
Molecular formula
C14H11F3N2OS
Molecular weight
312.32
Exact mass
312.0544
XLogP
4.19
TPSA
56.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
75.66
Supplementary Information
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