SMILES:
Nc1ncnc2c1c(I)cn2Cc1nc2ccccc2n1-c1ccccc1Molecular Processing
Molecular formula
C20H15IN6
Molecular weight
466.29
Exact mass
466.0403
XLogP
4.01
TPSA
74.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
114.83
Supplementary Information
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