SMILES:
CCOc1ccc2ccccc2c1C1CC(C(=O)O)Nc2ccc(I)cc21Molecular Processing
Molecular formula
C22H20INO3
Molecular weight
473.31
Exact mass
473.0488
XLogP
5.24
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
115.78
Supplementary Information
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