SMILES:
Cc1c(I)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H18F3IN2O4S
Molecular weight
590.36
Exact mass
589.9984
XLogP
4.1
TPSA
85.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
125.22
Supplementary Information
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