Molecule

ID:32584

General Information
Structure
MolImage
Molecular Formula
C₇H₅BF₂O₃
Molecular Mass
185.9206064
Exact Mass
186.02998086
Charge
0
InChI
InChI=1S/C7H5BF2O3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H
InChIKey
LZNNBOWURANFDS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1F)F)B(O)O
Isomeric Smiles
c1cc(c(c(c1B(O)O)F)F)C=O
Calculated Properties
JChem
Acid pKa
7.9404755
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5927362
LogD (pH = 7.4)
1.484798
Log P
1.5943
Molar Refractivity
37.6203
Polarizability
15.009744
Polar Surface Area
57.53
Rotatable Bonds
2
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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