SMILES:
COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2CMolecular Processing
Molecular formula
C16H20INO2
Molecular weight
385.25
Exact mass
385.0539
XLogP
3.03
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
86.6
Supplementary Information
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