SMILES:
NCCCNCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C19H22F3IN4O3
Molecular weight
538.31
Exact mass
538.0689
XLogP
2.54
TPSA
108.64
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
11
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
114.64
Supplementary Information
Details werden geladen…
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