COc1cc(CCc2cc(NC(=O)c3ccc(I)cc3)n(C(=O)OC(C)(C)C)n2)cc(OC)c1
SMILES: COc1cc(CCc2cc(NC(=O)c3ccc(I)cc3)n(C(=O)OC(C)(C)C)n2)cc(OC)c1

Molecular Processing

Molecular formula
C25H28IN3O5
Molecular weight
577.42
Exact mass
577.1074
XLogP
5.33
TPSA
91.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
137.93

Supplementary Information

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