SMILES:
Nc1ccc(SC2SCC(O)C(O)C2O)cc1Molecular Processing
Molecular formula
C11H15NO3S2
Molecular weight
273.38
Exact mass
273.0493
XLogP
0.52
TPSA
86.71
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
70.98
Supplementary Information
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