Nombre: 2-mercaptostearic acid
SMILES:
CCCCCCCCCCCCCCCCC(S)C(=O)OMolecular Processing
Molecular formula
C18H36O2S
Molecular weight
316.55
Exact mass
316.2436
XLogP
6.24
TPSA
37.3
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
16
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.944
Molar refractivity
95.34
Supplementary Information
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