Molecule

ID:79618

General Information
Structure
MolImage
Molecular Formula
C₆H₇BO₄
Molecular Mass
153.92838
Exact Mass
154.0437391
Charge
0
InChI
InChI=1S/C6H7BO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-11H
InChIKey
ACIZIJMWGZWBDP-UHFFFAOYSA-N
Canonic Smiles
OB(c1c(O)cccc1O)O
Isomeric Smiles
B(c1c(cccc1O)O)(O)O
Calculated Properties
JChem
Acid pKa
8.139107
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
1.0700096
LogD (pH = 7.4)
0.9985262
Log P
1.071
Molar Refractivity
34.5653
Polarizability
14.791264
Polar Surface Area
80.92
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
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Molecule Details
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References
Bioactivity
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