Molecule

ID:87659

General Information
Structure
MolImage
Molecular Formula
C₈H₈B₂O₅
Molecular Mass
205.76812
Exact Mass
206.05578416
Charge
0
InChI
InChI=1S/C8H8B2O5/c11-9(12)6-1-2-7-5(3-6)4-8(15-7)10(13)14/h1-4,11-14H
InChIKey
LCHGNXMXVDSVAR-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c(c1)cc(o2)B(O)O)O
Isomeric Smiles
o1c2ccc(cc2cc1B(O)O)B(O)O
Calculated Properties
JChem
Acid pKa
7.4685907
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
1.4498785
LogD (pH = 7.4)
1.1773399
Log P
1.4545
Molar Refractivity
43.2434
Polarizability
21.132284
Polar Surface Area
94.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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