SMILES:
Cc1ccc(I)cc1C=OMolecular Processing
Molecular formula
C8H7IO
Molecular weight
246.05
Exact mass
245.9542
XLogP
2.41
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.28
Supplementary Information
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