Molecule

ID:10780

General Information
Structure
MolImage
Molecular Formula
C₇H₈BFO₂
Molecular Mass
153.9466232
Exact Mass
154.06013812
Charge
0
InChI
InChI=1S/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
InChIKey
QKOJLMKWBRBZNQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)B(O)O)C
Isomeric Smiles
c1(ccc(c(c1)B(O)O)C)F
Calculated Properties
JChem
Acid pKa
8.645953
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2461915
LogD (pH = 7.4)
2.22265
Log P
2.2465
Molar Refractivity
35.8611
Polarizability
14.983375
Polar Surface Area
40.46
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
References
Bioactivity
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