SMILES:
Ic1ccc2c(cnn2-c2ccncc2)c1Molecular Processing
Molecular formula
C12H8IN3
Molecular weight
321.12
Exact mass
320.9763
XLogP
3.03
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
71.58
Supplementary Information
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