SMILES:
CS(=O)(=O)OC1CCN(c2nc(C(N)=O)cs2)C1Molecular Processing
Molecular formula
C9H13N3O4S2
Molecular weight
291.35
Exact mass
291.0347
XLogP
-0.2
TPSA
102.59
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
67.18
Supplementary Information
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