SMILES:
CCC(O)COc1ccc(I)cc1IMolecular Processing
Molecular formula
C10H12I2O2
Molecular weight
418.01
Exact mass
417.8927
XLogP
3.05
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
73.67
Supplementary Information
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