Molecule

ID:9449

General Information
Structure
MolImage
Molecular Formula
C₇H₉BO₃
Molecular Mass
151.95556
Exact Mass
152.06447455
Charge
0
InChI
InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChIKey
NLLGFYPSWCMUIV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)B(O)O
Isomeric Smiles
B(c1cccc(c1)OC)(O)O
Calculated Properties
JChem
Acid pKa
8.656432
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3867989
LogD (pH = 7.4)
1.3638042
Log P
1.3871
Molar Refractivity
37.0667
Polarizability
16.0519
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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