SMILES:
CCCCn1ccc2c(I)cc(C(=O)OC)cc21Molecular Processing
Molecular formula
C14H16INO2
Molecular weight
357.19
Exact mass
357.0226
XLogP
3.83
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
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
0.357
Molar refractivity
80.9
Supplementary Information
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