SMILES:
Ic1cc(I)c(OCCC(c2ccccc2)c2ccccc2)c(I)c1Molecular Processing
Molecular formula
C21H17I3O
Molecular weight
666.08
Exact mass
665.8414
XLogP
7.1
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
129.43
Supplementary Information
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