SMILES:
COc1ccc(I)c(CC(=O)N(C)C)c1Molecular Processing
Molecular formula
C11H14INO2
Molecular weight
319.14
Exact mass
319.0069
XLogP
1.93
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
68.11
Supplementary Information
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