Molecule

ID:109236

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅LiO₃
Molecular Mass
306.4097
Exact Mass
306.27462453
Charge
0
InChI
InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKey
FPLIHVCWSXLMPX-UHFFFAOYSA-M
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Li+]
Isomeric Smiles
[Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.103196
LogD (pH = 7.4)
3.3440611
Log P
5.7590017
Molar Refractivity
98.7922
Polarizability
34.90064
Polar Surface Area
60.36
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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