SMILES:
N#Cc1ccc([C@@]2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(I)cc1Molecular Processing
Molecular formula
C20H20INO6
Molecular weight
497.29
Exact mass
497.0335
XLogP
0.37
TPSA
134.17
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107
Supplementary Information
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