Molecule

ID:64549

General Information
Structure
MolImage
Molecular Formula
C₇H₇BO₂
Molecular Mass
133.94028
Exact Mass
134.05390986
Charge
0
InChI
InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKey
XOQABDOICLHPIS-UHFFFAOYSA-N
Canonic Smiles
OB1OCc2c1cccc2
Isomeric Smiles
B1(OCc2c1cccc2)O
Calculated Properties
JChem
Acid pKa
8.882559
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.097521
LogD (pH = 7.4)
2.0837119
Log P
2.0977
Molar Refractivity
33.6404
Polarizability
14.711421
Polar Surface Area
29.46
Rotatable Bonds
0
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