SMILES:
CNS(=O)(=O)c1ccc(-c2nc3c[nH][nH]c(=O)c-3n2)c(OC)c1Molecular Processing
Molecular formula
C13H13N5O4S
Molecular weight
335.35
Exact mass
335.0688
XLogP
0.18
TPSA
129.83
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
81.86
Supplementary Information
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