SMILES:
CC(C(=O)OC(C)(C)C)c1ccc(C=C2CSCCC2=O)cc1Molecular Processing
Molecular formula
C19H24O3S
Molecular weight
332.47
Exact mass
332.1446
XLogP
4.22
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
95.63
Supplementary Information
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