Molecule

ID:75173

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₄
Molecular Mass
262.10926
Exact Mass
262.13763949
Charge
0
InChI
InChI=1S/C14H19BO4/c1-10(16)17-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
InChIKey
KFBOKXXUJHAZIH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccccc1B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O=C(C)Oc1ccccc1B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3993
LogD (pH = 7.4)
3.3993
Log P
3.3993
Molar Refractivity
66.8455
Polarizability
28.427633
Polar Surface Area
44.76
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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