SMILES:
Cc1sc(Nc2cccc(I)n2)nc1-c1cn[nH]c1Molecular Processing
Molecular formula
C12H10IN5S
Molecular weight
383.22
Exact mass
382.9702
XLogP
3.58
TPSA
66.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
84.67
Supplementary Information
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