SMILES:
Cc1c(Nc2ccc(I)cc2F)c(C(=O)O)nn(C)c1=OMolecular Processing
Molecular formula
C13H11FIN3O3
Molecular weight
403.15
Exact mass
402.9829
XLogP
2.27
TPSA
84.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
83.57
Supplementary Information
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