SMILES:
Cc1c(F)c(OC(F)F)cc2c1c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1Molecular Processing
Molecular formula
C23H20F6N4O3S
Molecular weight
546.49
Exact mass
546.116
XLogP
5.58
TPSA
97.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
119.94
Supplementary Information
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