SMILES:
Nc1cc2ncnc(Nc3cccc(I)c3)c2cn1Molecular Processing
Molecular formula
C13H10IN5
Molecular weight
363.16
Exact mass
362.9981
XLogP
2.96
TPSA
76.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
84.19
Supplementary Information
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