SMILES:
O=C(SCC1C(=O)OCC1c1ccc(Cl)cc1)c1ccccc1Molecular Processing
Molecular formula
C18H15ClO3S
Molecular weight
346.84
Exact mass
346.043
XLogP
4.17
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.87
Supplementary Information
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