Molecule

ID:9904

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₈F₃N
Molecular Mass
301.4748296
Exact Mass
301.29563488
Charge
0
InChI
InChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
InChIKey
MRXQMNWIADOAJY-UHFFFAOYSA-M
Canonic Smiles
CCCC[N+](CCCC)(CCCC)CCCC.F.F.[F-]
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.[F-].F.F
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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