O=C1CSc2ncc(C(=O)O)cc2N1
SMILES: O=C1CSc2ncc(C(=O)O)cc2N1

Molecular Processing

Molecular formula
C8H6N2O3S
Molecular weight
210.21
Exact mass
210.0099
XLogP
0.82
TPSA
79.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.55

Supplementary Information

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