SMILES:
COc1cc(CCc2cc(NC(=O)c3ccc(I)cc3)[nH]n2)cc(OC)c1Molecular Processing
Molecular formula
C20H20IN3O3
Molecular weight
477.3
Exact mass
477.0549
XLogP
4.07
TPSA
76.24
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
112.65
Supplementary Information
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