SMILES:
OC(COCc1ccccc1)CC1SCCCS1Molecular Processing
Molecular formula
C14H20O2S2
Molecular weight
284.45
Exact mass
284.0905
XLogP
3.15
TPSA
29.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
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
0.571
Molar refractivity
80.04
Supplementary Information
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