Molecule

ID:96880

General Information
Structure
MolImage
Molecular Formula
C₅H₅BFNO₂
Molecular Mass
140.9081032
Exact Mass
141.03973703
Charge
0
InChI
InChI=1S/C5H5BFNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
InChIKey
QUHSESYLMZVXCN-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccncc1F)O
Isomeric Smiles
n1cc(c(cc1)B(O)O)F
Calculated Properties
JChem
Acid pKa
8.007161
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4660543
LogD (pH = 7.4)
0.37192303
Log P
0.4674
Molar Refractivity
28.663
Polarizability
12.399724
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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