이름: title compound
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(I)c(F)c3)[nH]c2=O)c1Molecular Processing
Molecular formula
C19H17ClFIN4O2
Molecular weight
514.73
Exact mass
514.0069
XLogP
3.9
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
113.99
Supplementary Information
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