SMILES:
CN(C)C=CC(=O)c1ccc(-c2cn3cc(I)ccc3n2)cc1Molecular Processing
Molecular formula
C18H16IN3O
Molecular weight
417.25
Exact mass
417.0338
XLogP
3.86
TPSA
37.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
100.5
Supplementary Information
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