Название: 2-(6-carboxyhexyl)-3-heptylthio-cyclopentanone
SMILES:
CCCCCCCSC1CCC(=O)C1CCCCCCC(=O)OMolecular Processing
Molecular formula
C19H34O3S
Molecular weight
342.55
Exact mass
342.2229
XLogP
5.46
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.895
Molar refractivity
98.07
Supplementary Information
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