SMILES:
CCSCC(=O)C12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C14H22OS
Molecular weight
238.4
Exact mass
238.1391
XLogP
3.53
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
68.61
Supplementary Information
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