Molecule

ID:71334

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BO₂
Molecular Mass
186.01484
Exact Mass
186.08520999
Charge
0
InChI
InChI=1S/C11H11BO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7,13-14H,1H3
InChIKey
WRMHOUYVGICNFF-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c(c1C)cccc2)O
Isomeric Smiles
c1(c(c2c(cc1)cccc2)C)B(O)O
Calculated Properties
JChem
Acid pKa
8.776846
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1089718
LogD (pH = 7.4)
3.0914316
Log P
3.1092
Molar Refractivity
52.0949
Polarizability
22.877207
Polar Surface Area
40.46
Rotatable Bonds
1
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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