Molecule

ID:32739

General Information
Structure
MolImage
Molecular Formula
C₇H₈BFO₂
Molecular Mass
153.9466232
Exact Mass
154.06013812
Charge
0
InChI
InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKey
LIXXGOMAGHXIMP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)F)B(O)O
Isomeric Smiles
c1(c(cc(cc1)C)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.298301
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2458134
LogD (pH = 7.4)
2.1950681
Log P
2.2465
Molar Refractivity
35.8611
Polarizability
14.985041
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