Molecule

ID:9649

General Information
Structure
MolImage
Molecular Formula
C₇H₉BO₂
Molecular Mass
135.95616
Exact Mass
136.06955993
Charge
0
InChI
InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
InChIKey
BIWQNIMLAISTBV-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)C)O
Isomeric Smiles
OB(O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
8.860393
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1068118
LogD (pH = 7.4)
2.0922892
Log P
2.107
Molar Refractivity
35.6447
Polarizability
15.298302
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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