Molecule

ID:93385

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂BF₄N
Molecular Mass
279.1250928
Exact Mass
279.17814299
Charge
0
InChI
InChI=1S/C13H22N.BF4/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3,4)5/h7-11H,4-6,12H2,1-3H3;/q+1;-1
InChIKey
KJWXXJMAQURGGG-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CC[N+](Cc1ccccc1)(CC)CC
Isomeric Smiles
[B-](F)(F)(F)F.[N+](CC)(CC)(CC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.1772702
LogD (pH = 7.4)
-1.1772702
Log P
-1.1772702
Molar Refractivity
74.7601
Polarizability
24.744455
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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