Название: 3-dodecylthiopropionic acid
SMILES:
CCCCCCCCCCCCCCC(O)=SMolecular Processing
Molecular formula
C15H30OS
Molecular weight
258.47
Exact mass
258.2017
XLogP
5.96
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
13
Heavy atoms
17
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.933
Molar refractivity
80.92
Supplementary Information
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