SMILES:
O=C(O)c1nc(-c2ccncc2)cs1Molecular Processing
Molecular formula
C9H6N2O2S
Molecular weight
206.23
Exact mass
206.015
XLogP
1.9
TPSA
63.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
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
52.3
Supplementary Information
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