Nom: acid
SMILES:
CSCC(CSC(C)=O)C(=O)OMolecular Processing
Molecular formula
C7H12O3S2
Molecular weight
208.3
Exact mass
208.0228
XLogP
1.33
TPSA
54.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
52.65
Supplementary Information
Récupération des détails…
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