SMILES:
COc1c(Br)c(I)c(C)c2c(=O)oc(C(C)(C)C)nc12Molecular Processing
Molecular formula
C14H15BrINO3
Molecular weight
452.09
Exact mass
450.928
XLogP
4.17
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
90.69
Supplementary Information
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