SMILES:
Cc1nc2c(F)c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)c2o1Molecular Processing
Molecular formula
C17H13F3IN3O3S
Molecular weight
523.27
Exact mass
522.9674
XLogP
4.81
TPSA
84.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
106.63
Supplementary Information
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