SMILES:
Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NC(CO)CO)c1IMolecular Processing
Molecular formula
C14H18I3N3O6
Molecular weight
705.03
Exact mass
704.833
XLogP
-0.75
TPSA
165.14
H-bond donors
7
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
119.86
Supplementary Information
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