Molecule

ID:71339

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁BF₃NO
Molecular Mass
168.9531496
Exact Mass
169.08857904
Charge
0
InChI
InChI=1S/C5H10BF3NO/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1
InChIKey
FQKLIGKQQGNVHW-UHFFFAOYSA-O
Canonic Smiles
F[B-](C[NH+]1CCOCC1)(F)F
Isomeric Smiles
[NH+]1(C[B-](F)(F)F)CCOCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.48825702
LogD (pH = 7.4)
0.4883982
Log P
0.4884
Molar Refractivity
43.3074
Polarizability
13.142687
Polar Surface Area
13.67
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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