SMILES:
COc1cc(C#N)c(NS(N)(=O)=O)cc1OCMolecular Processing
Molecular formula
C9H11N3O4S
Molecular weight
257.27
Exact mass
257.047
XLogP
0.19
TPSA
114.44
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
60.99
Supplementary Information
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