Molecule

ID:95453

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BF₄N₂O₂
Molecular Mass
282.0429128
Exact Mass
282.11627101
Charge
0
InChI
InChI=1S/C10H15N2O2.BF4/c1-12(2,3)8-9-4-6-10(7-5-9)11(13)14;2-1(3,4)5/h4-7H,8H2,1-3H3;/q+1;-1
InChIKey
LSCCAANLACYLRF-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.[O-][N+](=O)c1ccc(cc1)C[N+](C)(C)C
Isomeric Smiles
[N+](=O)(c1ccc(cc1)C[N+](C)(C)C)[O-].[B-](F)(F)(F)F
Calculated Properties
JChem
Acid pKa
15.76655
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.30771
LogD (pH = 7.4)
-2.30771
Log P
-2.30771
Molar Refractivity
67.839
Polarizability
21.005577
Polar Surface Area
45.82
Rotatable Bonds
3
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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