SMILES:
CNC(=O)CON=Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C19H18F3IN4O5
Molecular weight
566.27
Exact mass
566.0274
XLogP
2.2
TPSA
121.28
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
116.87
Supplementary Information
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