SMILES:
COc1cc(-c2cn(C3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1IMolecular Processing
Molecular formula
C21H18F3IN4O2
Molecular weight
542.3
Exact mass
542.0427
XLogP
4.64
TPSA
60.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
116.94
Supplementary Information
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