Molecule

ID:99347

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈BF₄N
Molecular Mass
273.1620328
Exact Mass
273.22509318
Charge
0
InChI
InChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1
InChIKey
ADADJCUTHQJPCB-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CCC[N+](CCC)(CCC)CCC
Isomeric Smiles
[N+](CCC)(CCC)(CCC)CCC.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.45484576
LogD (pH = 7.4)
-0.45484576
Log P
-0.45484576
Molar Refractivity
72.9921
Polarizability
24.346558
Polar Surface Area
0.0
Rotatable Bonds
8
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
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References
Bioactivity
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