Molecule

ID:10773

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BO₃
Molecular Mass
208.06188
Exact Mass
208.1270748
Charge
0
InChI
InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChIKey
SWBBCXVELDRAPH-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)COC(C)(C)C)O
Isomeric Smiles
c1(ccc(cc1)COC(C)(C)C)B(O)O
Calculated Properties
JChem
Acid pKa
8.746524
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2163553
LogD (pH = 7.4)
2.1975746
Log P
2.2166
Molar Refractivity
55.9762
Polarizability
23.42581
Polar Surface Area
49.69
Rotatable Bonds
4
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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