Molecule

ID:96902

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BFNO₃
Molecular Mass
239.0511032
Exact Mass
239.11290197
Charge
0
InChI
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)9-6-5-8(12(16)17)7-10(9)13/h5-7,16-17H,3-4H2,1-2H3
InChIKey
PYEVVMUOQIUNFL-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1F)B(O)O)CC
Isomeric Smiles
B(c1ccc(c(c1)F)C(=O)N(CC)CC)(O)O
Calculated Properties
JChem
Acid pKa
8.466117
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6079333
LogD (pH = 7.4)
1.5728039
Log P
1.6084
Molar Refractivity
59.1889
Polarizability
23.447863
Polar Surface Area
60.77
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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