SMILES:
CC(=O)c1ccc(I)cc1CMolecular Processing
Molecular formula
C9H9IO
Molecular weight
260.07
Exact mass
259.9698
XLogP
2.8
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
0.222
Molar refractivity
53.9
Supplementary Information
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