O=C(O)CS[C@@H]1CCC[C@H]1O
名称: product
SMILES: O=C(O)CS[C@@H]1CCC[C@H]1O

Molecular Processing

Molecular formula
C7H12O3S
Molecular weight
176.24
Exact mass
176.0507
XLogP
0.72
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
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
0.857
Molar refractivity
43.74

Supplementary Information

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