Molecule

ID:68968

General Information
Structure
Molecular Formula
C₁₆H₂₃BO₄
Molecular Mass
290.16242
Exact Mass
290.16893962
Charge
0
InChI
InChI=1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3
InChIKey
RPRBNRDIESZHFL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
C(=O)(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9055
LogD (pH = 7.4)
3.9055
Log P
3.9055
Molar Refractivity
76.5384
Polarizability
32.125206
Polar Surface Area
44.76
Rotatable Bonds
5
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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