SMILES:
CC(=O)c1cccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1Molecular Processing
Molecular formula
C13H16O5S
Molecular weight
284.33
Exact mass
284.0718
XLogP
0.42
TPSA
86.99
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.34
Supplementary Information
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