Molecule

ID:88356

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁BO₂
Molecular Mass
246.06834
Exact Mass
246.08520999
Charge
0
InChI
InChI=1S/C16H11BO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,18-19H
InChIKey
MWEKPLLMFXIZOC-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c3c1ccc1c3c(cc2)ccc1)O
Isomeric Smiles
B(c1ccc2c3c4c(cccc4ccc13)cc2)(O)O
Calculated Properties
JChem
Acid pKa
8.5841255
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9638443
LogD (pH = 7.4)
3.936814
Log P
3.9642
Molar Refractivity
71.2681
Polarizability
32.95754
Polar Surface Area
40.46
Rotatable Bonds
1
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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