CCC#CCOc1ccc(S(=O)(=O)CC(=O)OCC)cc1
SMILES: CCC#CCOc1ccc(S(=O)(=O)CC(=O)OCC)cc1

Molecular Processing

Molecular formula
C15H18O5S
Molecular weight
310.37
Exact mass
310.0875
XLogP
1.82
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
78.69

Supplementary Information

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