SMILES:
O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(I)c(Cl)c4)cn3)CC2)cc1Molecular Processing
Molecular formula
C23H20ClIN4O3
Molecular weight
562.79
Exact mass
562.0269
XLogP
4.62
TPSA
85.77
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
134.19
Supplementary Information
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