COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)Nc2cccnc2)c1
SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)Nc2cccnc2)c1

Molecular Processing

Molecular formula
C26H19F3IN5O3
Molecular weight
633.37
Exact mass
633.0485
XLogP
5.35
TPSA
89.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
141.85

Supplementary Information

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