SMILES:
Cc1ccc(C=CC(C#N)=NOS(C)(=O)=O)cc1Molecular Processing
Molecular formula
C12H12N2O3S
Molecular weight
264.31
Exact mass
264.0569
XLogP
1.86
TPSA
79.52
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
69.19
Supplementary Information
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