SMILES:
CSc1ccc(C2OC(=O)NC2O)cc1Molecular Processing
Molecular formula
C10H11NO3S
Molecular weight
225.27
Exact mass
225.046
XLogP
1.51
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
56.59
Supplementary Information
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