Molecule

ID:65301

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃BO₄
Molecular Mass
266.14102
Exact Mass
266.16893962
Charge
0
InChI
InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-6-5-7-14(10-11)16-8-9-17-14/h6H,5,7-10H2,1-4H3
InChIKey
XSOMCRLPERTSIS-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)C1=CCCC2(C1)OCCO2
Isomeric Smiles
C12(OCCO1)CCC=C(B1OC(C(O1)(C)C)(C)C)C2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5444
LogD (pH = 7.4)
2.5444
Log P
2.5444
Molar Refractivity
69.1801
Polarizability
28.846746
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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