SMILES:
BrCc1cc(I)ccc1OCc1ccccc1Molecular Processing
Molecular formula
C14H12BrIO
Molecular weight
403.06
Exact mass
401.9116
XLogP
4.77
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
82.56
Supplementary Information
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