SMILES:
OC1(c2ccc(I)cc2)CCOCC1Molecular Processing
Molecular formula
C11H13IO2
Molecular weight
304.13
Exact mass
303.996
XLogP
2.29
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
63.11
Supplementary Information
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