SMILES:
CC(C)=CCC/C(C)=C/COc1c(I)cc(I)cc1IMolecular Processing
Molecular formula
C16H19I3O
Molecular weight
608.04
Exact mass
607.857
XLogP
6.57
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
112.51
Supplementary Information
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