SMILES:
CC(=O)c1cc(Br)cc2nc(-c3ccc(I)cc3)oc12Molecular Processing
Molecular formula
C15H9BrINO2
Molecular weight
442.05
Exact mass
440.8861
XLogP
5.06
TPSA
43.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
89.87
Supplementary Information
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