SMILES:
COc1cc(C(C)Nc2ncc(I)cc2[N+](=O)[O-])ccc1OCc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C22H19F3IN3O4
Molecular weight
573.31
Exact mass
573.0372
XLogP
6.37
TPSA
86.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
124.42
Supplementary Information
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