SMILES:
CC(=O)OCC1CN(c2ccc(I)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C12H11FINO4
Molecular weight
379.13
Exact mass
378.9717
XLogP
2.32
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
73.37
Supplementary Information
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