Molecule

ID:99734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BFNO₂
Molecular Mass
204.9933632
Exact Mass
205.07103715
Charge
0
InChI
InChI=1S/C10H9BFNO2/c1-6-2-3-7-4-5-8(11(14)15)9(12)10(7)13-6/h2-5,14-15H,1H3
InChIKey
BVJIKMGAYNZCCJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)c(F)c(cc2)B(O)O
Isomeric Smiles
B(c1c(c2nc(ccc2cc1)C)F)(O)O
Calculated Properties
JChem
Acid pKa
8.1414995
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0383036
LogD (pH = 7.4)
1.9672542
Log P
2.0393
Molar Refractivity
49.3327
Polarizability
21.568287
Polar Surface Area
53.35
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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