SMILES:
CCC(C(=O)O)c1ccccc1SCC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C16H22O4S
Molecular weight
310.42
Exact mass
310.1239
XLogP
3.7
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.68
Supplementary Information
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