SMILES:
CC(C)(C)c1cc2c(=O)oc(=O)[nH]c2s1Molecular Processing
Molecular formula
C10H11NO3S
Molecular weight
225.27
Exact mass
225.046
XLogP
1.84
TPSA
63.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
59.68
Supplementary Information
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