SMILES:
Cn1nc2ccccc2c1S(N)(=O)=OMolecular Processing
Molecular formula
C8H9N3O2S
Molecular weight
211.25
Exact mass
211.0415
XLogP
0.22
TPSA
77.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.09
Supplementary Information
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