Molecule

ID:105366

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁FO₂
Molecular Mass
274.4145432
Exact Mass
274.23080845
Charge
0
InChI
InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
JGRIJJOLCNCSNX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCC(C(=O)O)F
Isomeric Smiles
CCCCCCCCCCCCCCC(F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.29423
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0466623
LogD (pH = 7.4)
3.3094215
Log P
6.2766085
Molar Refractivity
76.8837
Polarizability
30.394154
Polar Surface Area
37.3
Rotatable Bonds
14
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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