SMILES:
Cn1cnc(I)c1-c1cc2c(N)ncnc2s1Molecular Processing
Molecular formula
C10H8IN5S
Molecular weight
357.18
Exact mass
356.9545
XLogP
2.28
TPSA
69.62
H-bond donors
1
H-bond acceptors
5
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
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
76.75
Supplementary Information
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