SMILES:
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3cc(Cl)c(F)cc3I)c(C#N)c2)c(OC)c1Molecular Processing
Molecular formula
C24H17ClFIN4O5S2
Molecular weight
686.91
Exact mass
685.9358
XLogP
6.01
TPSA
114.64
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
148.18
Supplementary Information
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