SMILES:
COc1ccc(CNCc2cn(-c3ccc(I)cc3)nc2-c2ccccc2)c(OC)c1Molecular Processing
Molecular formula
C25H24IN3O2
Molecular weight
525.39
Exact mass
525.0913
XLogP
5.45
TPSA
48.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
131.81
Supplementary Information
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