SMILES:
Fc1cc(I)c(OCCOC2CCCCO2)cn1Molecular Processing
Molecular formula
C12H15FINO3
Molecular weight
367.16
Exact mass
367.0081
XLogP
2.75
TPSA
40.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
71.95
Supplementary Information
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