Nombre: 8-methylsulfonyl-11-(1-hydroxycyclohexyl)-10-undecynoic acid
SMILES:
CS(=O)(=O)C(CC#CC1(O)CCCCC1)CCCCCCC(=O)OMolecular Processing
Molecular formula
C18H30O5S
Molecular weight
358.5
Exact mass
358.1814
XLogP
2.91
TPSA
91.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
24
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
94.4
Supplementary Information
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