Molecule

ID:77926

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇BO₃
Molecular Mass
244.09398
Exact Mass
244.1270748
Charge
0
InChI
InChI=1S/C14H17BO3/c1-13(2)14(3,4)18-15(17-13)11-9-16-12-8-6-5-7-10(11)12/h5-9H,1-4H3
InChIKey
JSWDWMBIBSINSL-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1coc2c1cccc2
Isomeric Smiles
o1c2ccccc2c(c1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1792
LogD (pH = 7.4)
4.1792
Log P
4.1792
Molar Refractivity
64.5542
Polarizability
28.40229
Polar Surface Area
31.6
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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