Molecule

ID:64247

General Information
Structure
MolImage
Molecular Formula
C₇H₅BF₂O₄
Molecular Mass
201.9200064
Exact Mass
202.02489548
Charge
0
InChI
InChI=1S/C7H5BF2O4/c9-7(10)13-5-3-1-2-4(8(11)12)6(5)14-7/h1-3,11-12H
InChIKey
GCIIKWAIWSFGLA-UHFFFAOYSA-N
Canonic Smiles
OB(c1cccc2c1OC(O2)(F)F)O
Isomeric Smiles
c12c(B(O)O)cccc2OC(O1)(F)F
Calculated Properties
JChem
Acid pKa
8.218484
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.805775
LogD (pH = 7.4)
2.7454882
Log P
2.8066
Molar Refractivity
34.4403
Polarizability
15.75317
Polar Surface Area
58.92
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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