O=C(OCC1=CC=C(COC(=O)C2CC2)SS1)C1CC1
SMILES: O=C(OCC1=CC=C(COC(=O)C2CC2)SS1)C1CC1

Molecular Processing

Molecular formula
C14H16O4S2
Molecular weight
312.41
Exact mass
312.049
XLogP
3.06
TPSA
52.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
20
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
78.71

Supplementary Information

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