Molecule

ID:32729

General Information
Structure
MolImage
Molecular Formula
C₆H₇BFNO₂
Molecular Mass
154.9346832
Exact Mass
155.05538709
Charge
0
InChI
InChI=1S/C6H7BFNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3
InChIKey
XCWIMBMPJGQNHG-UHFFFAOYSA-N
Canonic Smiles
OB(c1cnc(c(c1)C)F)O
Isomeric Smiles
c1(c(cc(cn1)B(O)O)C)F
Calculated Properties
JChem
Acid pKa
8.465029
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.391332
LogD (pH = 7.4)
1.3561188
Log P
1.3918
Molar Refractivity
34.7189
Polarizability
14.143294
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
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Molecule Details
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References
Bioactivity
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