Molecule

ID:77155

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BO₄
Molecular Mass
206.00294
Exact Mass
206.07503923
Charge
0
InChI
InChI=1S/C10H11BO4/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5H,1,6-7H2,(H,12,13)
InChIKey
YYTULIYDVGLPGK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)B1OCCCO1
Isomeric Smiles
O1CCCOB1c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.576195
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.56438017
LogD (pH = 7.4)
-0.95979553
Log P
2.4858
Molar Refractivity
49.7207
Polarizability
20.821726
Polar Surface Area
55.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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