Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](C)C[C@@H]2O)cc1
名称: product
SMILES: Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](C)C[C@@H]2O)cc1

Molecular Processing

Molecular formula
C13H18O5S
Molecular weight
286.35
Exact mass
286.0875
XLogP
1.24
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
69.28

Supplementary Information

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