Molecule

ID:12406

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₄
Molecular Mass
262.10926
Exact Mass
262.13763949
Charge
0
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKey
FNLWHBHWDXCWHV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1c(ccc(c1)B1OC(C(O1)(C)C)(C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3757935
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4157287
LogD (pH = 7.4)
0.012739908
Log P
3.5313
Molar Refractivity
67.0207
Polarizability
28.191978
Polar Surface Area
55.76
Rotatable Bonds
3
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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