SMILES:
O=c1[nH]c2ccsc2c(=O)o1Molecular Processing
Molecular formula
C6H3NO3S
Molecular weight
169.16
Exact mass
168.9834
XLogP
0.54
TPSA
63.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.98
Supplementary Information
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