Nombre: compound
SMILES:
O=C(O)CS[C@@H]1CCCC[C@H]1OMolecular Processing
Molecular formula
C8H14O3S
Molecular weight
190.26
Exact mass
190.0664
XLogP
1.11
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
48.36
Supplementary Information
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