Molecule

ID:32862

General Information
Structure
MolImage
Molecular Formula
C₇H₈BFO₂
Molecular Mass
153.9466232
Exact Mass
154.06013812
Charge
0
InChI
InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3
InChIKey
IQMLIVUHMSIOQP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)B(O)O
Isomeric Smiles
c1c(cc(c(c1)B(O)O)C)F
Calculated Properties
JChem
Acid pKa
8.858851
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.246311
LogD (pH = 7.4)
2.2317376
Log P
2.2465
Molar Refractivity
35.8611
Polarizability
14.982978
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation