Molecule

ID:9902

General Information
Structure
MolImage
Molecular Formula
C₁₆H₄₂FNO₃
Molecular Mass
315.5079832
Exact Mass
315.31487243
Charge
0
InChI
InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
InChIKey
VEPTXBCIDSFGBF-UHFFFAOYSA-M
Canonic Smiles
CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.[F-].O.O.O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
true
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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