SMILES:
CCC(=O)NCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C21H24F3IN4O5
Molecular weight
596.34
Exact mass
596.0744
XLogP
2.65
TPSA
120.95
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
34
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
0.333
Molar refractivity
125.35
Supplementary Information
Obteniendo detalles…
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