이름: title compound
SMILES:
O=C(NCc1cc(-n2nc(-c3ccc(I)cc3)[nH]c2=O)c(Cl)cc1F)C(F)(F)FMolecular Processing
Molecular formula
C17H10ClF4IN4O2
Molecular weight
540.64
Exact mass
539.9473
XLogP
3.8
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
105.21
Supplementary Information
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