Molecule

ID:77981

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)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,7-8H2,1-4H3
InChIKey
WIIBAHCYWOUFRM-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc2c(c1)OCCO2
Isomeric Smiles
O1CCOc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2172
LogD (pH = 7.4)
3.2172
Log P
3.2172
Molar Refractivity
66.6705
Polarizability
28.308004
Polar Surface Area
36.92
Rotatable Bonds
1
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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