SMILES:
CC(=O)Nc1cnc(SCC(=O)O)s1Molecular Processing
Molecular formula
C7H8N2O3S2
Molecular weight
232.29
Exact mass
231.9976
XLogP
1.28
TPSA
79.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
54.78
Supplementary Information
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