SMILES:
Nc1ncnn2c(C3CCC3)nc(I)c12Molecular Processing
Molecular formula
C9H10IN5
Molecular weight
315.12
Exact mass
314.9981
XLogP
1.58
TPSA
69.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
64.5
Supplementary Information
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