Molecule

ID:9897

General Information
Structure
MolImage
Molecular Formula
C₅H₇BO₃
Molecular Mass
125.91828
Exact Mass
126.04882448
Charge
0
InChI
InChI=1S/C5H7BO3/c1-4-2-3-5(9-4)6(7)8/h2-3,7-8H,1H3
InChIKey
LMJIDBVSSSPRII-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(o1)C)O
Isomeric Smiles
c1cc(oc1B(O)O)C
Calculated Properties
JChem
Acid pKa
7.7695103
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.77888393
LogD (pH = 7.4)
0.62729186
Log P
0.7812
Molar Refractivity
27.5199
Polarizability
12.207179
Polar Surface Area
53.6
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
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References
Bioactivity
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