O=C(O)C(=O)c1ccc(C2CCCCC2)c(S)c1
SMILES: O=C(O)C(=O)c1ccc(C2CCCCC2)c(S)c1

Molecular Processing

Molecular formula
C14H16O3S
Molecular weight
264.35
Exact mass
264.082
XLogP
3.29
TPSA
54.37
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
71.49

Supplementary Information

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Involved in 18 reactions→

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