SMILES:
COC(=O)c1ccc(I)c2cc(O)ccc12Molecular Processing
Molecular formula
C12H9IO3
Molecular weight
328.11
Exact mass
327.9596
XLogP
2.94
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
69.67
Supplementary Information
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