SMILES:
Nc1ccc(-c2cn3cc(I)ccc3n2)cc1Molecular Processing
Molecular formula
C13H10IN3
Molecular weight
335.15
Exact mass
334.9919
XLogP
3.19
TPSA
43.32
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
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
77.76
Supplementary Information
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