SMILES:
CCCCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCC(=O)O)c1IMolecular Processing
Molecular formula
C15H15I3N2O6
Molecular weight
700.01
Exact mass
699.8064
XLogP
3.14
TPSA
132.8
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
119.68
Supplementary Information
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