SMILES:
CC(C)(C)OC(=O)Nc1cc(COC2CCCCO2)c(I)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H23IN2O6
Molecular weight
478.28
Exact mass
478.0601
XLogP
4.59
TPSA
99.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
104.05
Supplementary Information
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