Molecule

ID:64496

General Information
Structure
MolImage
Molecular Formula
C₅H₄BF₂NO₂
Molecular Mass
158.8985664
Exact Mass
159.03031521
Charge
0
InChI
InChI=1S/C5H4BF2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChIKey
LCCZTROJRJFXNV-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(nc1F)F)O
Isomeric Smiles
c1(c(nc(cc1)F)F)B(O)O
Calculated Properties
JChem
Acid pKa
7.903357
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.519597
LogD (pH = 7.4)
1.4032437
Log P
1.5213
Molar Refractivity
30.9088
Polarizability
12.254803
Polar Surface Area
53.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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