SMILES:
Cc1sc(C(=O)N=[N+]=[N-])c(S(N)(=O)=O)c1C#NMolecular Processing
Molecular formula
C7H5N5O3S2
Molecular weight
271.28
Exact mass
270.9834
XLogP
1.03
TPSA
149.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
58.62
Supplementary Information
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