Molecule

ID:95446

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄BF₄N
Molecular Mass
389.2372728
Exact Mass
389.19379305
Charge
0
InChI
InChI=1S/C22H24N.BF4/c1-3-21-15-20(19-13-9-6-10-14-19)16-22(4-2)23(21)17-18-11-7-5-8-12-18;2-1(3,4)5/h5-16H,3-4,17H2,1-2H3;/q+1;-1
InChIKey
ZMUUTPXNFZPPHX-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CCc1cc(cc([n+]1Cc1ccccc1)CC)c1ccccc1
Isomeric Smiles
[n+]1(c(cc(cc1CC)c1ccccc1)CC)Cc1ccccc1.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.9160171
LogD (pH = 7.4)
0.9160171
Log P
0.9160171
Molar Refractivity
98.7411
Polarizability
39.39721
Polar Surface Area
3.88
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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