SMILES:
CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2N2CCCCCC2)nc1Molecular Processing
Molecular formula
C17H18F3N5O2S
Molecular weight
413.43
Exact mass
413.1133
XLogP
2.94
TPSA
91.88
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
94.87
Supplementary Information
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