이름: 11-ethylthioundecanoic acid
SMILES:
CCCCCCCCCCCCC(O)=SMolecular Processing
Molecular formula
C13H26OS
Molecular weight
230.42
Exact mass
230.1704
XLogP
5.18
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
11
Heavy atoms
15
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
0.923
Molar refractivity
71.69
Supplementary Information
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