Name: title compound
SMILES:
COc1cc(-n2nc(-c3c(Cl)cccc3I)[nH]c2=O)ccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C23H14ClF4IN4O3
Molecular weight
632.74
Exact mass
631.9735
XLogP
5.9
TPSA
89.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
133.25
Supplementary Information
Details werden geladen…
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