CC(=O)Nc1c(I)c(C(=O)OC(OC(=O)Oc2ccccc2)c2ccccc2)c(I)c(N(C)C(C)=O)c1I
SMILES: CC(=O)Nc1c(I)c(C(=O)OC(OC(=O)Oc2ccccc2)c2ccccc2)c(I)c(N(C)C(C)=O)c1I

Molecular Processing

Molecular formula
C26H21I3N2O7
Molecular weight
854.17
Exact mass
853.8483
XLogP
6.51
TPSA
111.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
166.13

Supplementary Information

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