Molecule

ID:10781

General Information
Structure
MolImage
Molecular Formula
C₅H₇BFNO₃
Molecular Mass
158.9233832
Exact Mass
159.05030171
Charge
0
InChI
InChI=1S/C5H5BFNO2.H2O/c7-5-3-8-2-1-4(5)6(9)10;/h1-3,9-10H;1H2
InChIKey
MESGEMIQUNLQHJ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccncc1F)O.O
Isomeric Smiles
c1cncc(c1B(O)O)F.O
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
No Data Available
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Molecule Details
References
Bioactivity
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