SMILES:
COC(=O)CCC(C)(c1ccc2c(I)c(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1)[N+](=O)[O-]Molecular Processing
Molecular formula
C23H25F3INO5
Molecular weight
579.35
Exact mass
579.073
XLogP
6.39
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
124.69
Supplementary Information
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