Molecule

ID:96924

General Information
Structure
MolImage
Molecular Formula
C₈H₉BFNO₄
Molecular Mass
212.9707632
Exact Mass
213.06086639
Charge
0
InChI
InChI=1S/C8H9BFNO4/c1-15-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChIKey
BICVNGATAFRLPE-UHFFFAOYSA-N
Canonic Smiles
CONC(=O)c1ccc(c(c1)B(O)O)F
Isomeric Smiles
B(c1c(ccc(c1)C(=O)NOC)F)(O)O
Calculated Properties
JChem
Acid pKa
8.04676
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9468753
LogD (pH = 7.4)
0.8601641
Log P
0.9481
Molar Refractivity
46.1452
Polarizability
18.737297
Polar Surface Area
78.79
Rotatable Bonds
3
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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