Molecule

ID:75151

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁BO₄
Molecular Mass
276.13584
Exact Mass
276.15328955
Charge
0
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChIKey
RQKGHIGGSFNVGW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3905
LogD (pH = 7.4)
4.3905
Log P
4.3905
Molar Refractivity
72.487
Polarizability
30.258238
Polar Surface Area
44.76
Rotatable Bonds
4
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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