SMILES:
COC(=O)c1cccc2nc(C(C)NC(=O)OCc3ccccc3)c(I)n12Molecular Processing
Molecular formula
C19H18IN3O4
Molecular weight
479.27
Exact mass
479.0342
XLogP
3.71
TPSA
81.93
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
107.43
Supplementary Information
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