SMILES:
CC(C)(C)c1cc(SCCCC(=O)O)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C18H28O3S
Molecular weight
324.49
Exact mass
324.1759
XLogP
4.94
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
93.1
Supplementary Information
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