Molecule

ID:71243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁BO₄
Molecular Mass
276.13584
Exact Mass
276.15328955
Charge
0
InChI
InChI=1S/C15H21BO4/c1-11(17)18-10-12-6-8-13(9-7-12)16-19-14(2,3)15(4,5)20-16/h6-9H,10H2,1-5H3
InChIKey
CINSSLPYZWYFSB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(COC(=O)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4942
LogD (pH = 7.4)
3.4942
Log P
3.4942
Molar Refractivity
71.6805
Polarizability
30.281582
Polar Surface Area
44.76
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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