SMILES:
CCSCC(C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1S(C)(=O)=OMolecular Processing
Molecular formula
C16H17F3N2O3S2
Molecular weight
406.45
Exact mass
406.0633
XLogP
3.3
TPSA
83.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
94.47
Supplementary Information
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