Molecule

ID:98041

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BFNO₃
Molecular Mass
239.0511032
Exact Mass
239.11290197
Charge
0
InChI
InChI=1S/C11H15BFNO3/c1-2-3-6-14-11(15)9-7-8(12(16)17)4-5-10(9)13/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)
InChIKey
FYINHVVQWXVREN-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1cc(ccc1F)B(O)O
Isomeric Smiles
B(c1cc(c(cc1)F)C(=O)NCCCC)(O)O
Calculated Properties
JChem
Acid pKa
8.660373
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.8840015
LogD (pH = 7.4)
1.8612092
Log P
1.8843
Molar Refractivity
58.6686
Polarizability
23.446579
Polar Surface Area
69.56
Rotatable Bonds
5
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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