SMILES:
CC(C)ONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C19H21F3IN3O4
Molecular weight
539.29
Exact mass
539.0529
XLogP
3.54
TPSA
91.85
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
112.32
Supplementary Information
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