SMILES:
O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2CC(=O)N12Molecular Processing
Molecular formula
C13H12N2O3S
Molecular weight
276.32
Exact mass
276.0569
XLogP
-0.72
TPSA
64.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
66.38
Supplementary Information
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