SMILES:
O=C(c1ccccc1I)c1nc(CCN2CCOCC2)n2ccccc12Molecular Processing
Molecular formula
C20H20IN3O2
Molecular weight
461.3
Exact mass
461.06
XLogP
3.04
TPSA
46.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
108.75
Supplementary Information
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