SMILES:
Cc1cc(C[N+](C)(C)C)cc(C)c1O.[I-]Molecular Processing
Molecular formula
C12H20INO
Molecular weight
321.2
Exact mass
321.059
XLogP
-0.78
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
59.32
Supplementary Information
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