Molecule

ID:32909

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BO₃
Molecular Mass
202.01424
Exact Mass
202.08012461
Charge
0
InChI
InChI=1S/C11H11BO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13-14H,1H3
InChIKey
GZFAVYWCPSMLCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)B(O)O
Isomeric Smiles
c1c(ccc2cc(ccc12)OC)B(O)O
Calculated Properties
JChem
Acid pKa
8.706526
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3890316
LogD (pH = 7.4)
2.3684824
Log P
2.3893
Molar Refractivity
53.5169
Polarizability
23.580858
Polar Surface Area
49.69
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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