SMILES:
Nc1nc(-c2ccccc2C(=O)O)cs1Molecular Processing
Molecular formula
C10H8N2O2S
Molecular weight
220.25
Exact mass
220.0306
XLogP
2.09
TPSA
76.21
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
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
58.92
Supplementary Information
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