Molecule

ID:75512

General Information
Structure
MolImage
Molecular Formula
C₈H₇BO₆
Molecular Mass
209.94858
Exact Mass
210.03356834
Charge
0
InChI
InChI=1S/C8H7BO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)
InChIKey
LCDXMCXNZRXUDH-UHFFFAOYSA-N
Canonic Smiles
OB(c1cc(cc(c1)C(=O)O)C(=O)O)O
Isomeric Smiles
B(c1cc(cc(c1)C(=O)O)C(=O)O)(O)O
Calculated Properties
JChem
Acid pKa
3.4361799
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-2.641407
LogD (pH = 7.4)
-5.9061027
Log P
0.6716
Molar Refractivity
45.1159
Polarizability
18.36868
Polar Surface Area
115.06
Rotatable Bonds
3
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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