SMILES:
O=C1CC(Sc2nnc(S)s2)C(=O)O1Molecular Processing
Molecular formula
C6H4N2O3S3
Molecular weight
248.31
Exact mass
247.9384
XLogP
0.76
TPSA
69.15
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.52
Supplementary Information
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