Molecule

ID:74771

General Information
Structure
MolImage
Molecular Formula
C₈H₇BO₅
Molecular Mass
193.94918
Exact Mass
194.03865372
Charge
0
InChI
InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
InChIKey
AKEPUIJBVDGLMX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2OCOc2cc1B(O)O
Isomeric Smiles
O=Cc1cc2c(cc1B(O)O)OCO2
Calculated Properties
JChem
Acid pKa
8.35873
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.99900246
LogD (pH = 7.4)
0.9545162
Log P
0.9996
Molar Refractivity
42.9544
Polarizability
17.982943
Polar Surface Area
75.99
Rotatable Bonds
2
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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