SMILES:
CCc1csc(COC2=CC(=O)C3C4CCC(O4)C23)c1Molecular Processing
Molecular formula
C16H18O3S
Molecular weight
290.38
Exact mass
290.0977
XLogP
3.09
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
76.45
Supplementary Information
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