Nombre: 2-(6-carboxy-5-thiahexyl)-2-cyclopentenone
SMILES:
O=C(O)CSCCCCC1=CCCC1=OMolecular Processing
Molecular formula
C11H16O3S
Molecular weight
228.31
Exact mass
228.082
XLogP
2.26
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
61.14
Supplementary Information
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