Molecule

ID:10578

General Information
Structure
MolImage
Molecular Formula
C₆H₇BO₃
Molecular Mass
137.92898
Exact Mass
138.04882448
Charge
0
InChI
InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
InChIKey
WFWQWTPAPNEOFE-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)B(O)O
Isomeric Smiles
c1cc(cc(c1)B(O)O)O
Calculated Properties
JChem
Acid pKa
8.45763
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.3549235
LogD (pH = 7.4)
1.3186502
Log P
1.3554
Molar Refractivity
32.5844
Polarizability
14.144127
Polar Surface Area
60.69
Rotatable Bonds
1
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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