CC(=O)OCCC1(c2ccc(F)cc2)SCCS1
SMILES: CC(=O)OCCC1(c2ccc(F)cc2)SCCS1

Molecular Processing

Molecular formula
C13H15FO2S2
Molecular weight
286.39
Exact mass
286.0497
XLogP
3.41
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
74.24

Supplementary Information

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