SMILES:
COC(=O)c1cc2ccccc2c(I)c1OCMolecular Processing
Molecular formula
C13H11IO3
Molecular weight
342.13
Exact mass
341.9753
XLogP
3.24
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
0.154
Molar refractivity
74.56
Supplementary Information
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