SMILES:
O=C(O)CSCCC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C12H14O4S
Molecular weight
254.31
Exact mass
254.0613
XLogP
1.94
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.82
Supplementary Information
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