Molecule

ID:97335

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BF₅N
Molecular Mass
226.982656
Exact Mass
227.09047086
Charge
0
InChI
InChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKey
RRNLYYDDEUOXBB-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.Cc1cc(C)cc([n+]1F)C
Isomeric Smiles
[n+]1(c(cc(cc1C)C)C)F.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.7106423
LogD (pH = 7.4)
-1.7106423
Log P
-1.7106423
Molar Refractivity
41.995
Polarizability
14.589472
Polar Surface Area
3.88
Rotatable Bonds
0
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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