SMILES:
O=CNCCSc1ncn2ccsc12Molecular Processing
Molecular formula
C8H9N3OS2
Molecular weight
227.31
Exact mass
227.0187
XLogP
1.23
TPSA
46.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
57.86
Supplementary Information
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