Nombre: α-Lipoic acid
SMILES:
O=C(O)CCCCC1CCSS1Molecular Processing
Molecular formula
C8H14O2S2
Molecular weight
206.33
Exact mass
206.0435
XLogP
2.79
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
54.56
Supplementary Information
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