SMILES:
COc1ccc(I)c(F)c1Molecular Processing
Molecular formula
C7H6FIO
Molecular weight
252.03
Exact mass
251.9447
XLogP
2.44
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
45.67
Supplementary Information
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