SMILES:
COc1cccc(C(=O)NN=C2C(=O)Nc3ccc(I)cc32)c1Molecular Processing
Molecular formula
C16H12IN3O3
Molecular weight
421.19
Exact mass
420.9923
XLogP
2.39
TPSA
79.79
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
94.79
Supplementary Information
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