SMILES:
C=C1CCC(COc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)CC1Molecular Processing
Molecular formula
C19H19F3N4O3S
Molecular weight
440.45
Exact mass
440.113
XLogP
3.69
TPSA
97.87
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
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
0.421
Molar refractivity
100.78
Supplementary Information
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