SMILES:
CSC(=C[N+](=O)[O-])Nc1cccc(C(C)=O)c1Molecular Processing
Molecular formula
C11H12N2O3S
Molecular weight
252.29
Exact mass
252.0569
XLogP
2.74
TPSA
72.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
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
0.182
Molar refractivity
68.66
Supplementary Information
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