Molecule

ID:10545

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄B₂O₄
Molecular Mass
253.93856
Exact Mass
254.18607005
Charge
0
InChI
InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
InChIKey
UEBSWKNVDRJVHN-UHFFFAOYSA-N
Canonic Smiles
CC1OB(OC(C1)(C)C)B1OC(C)CC(O1)(C)C
Isomeric Smiles
O1C(CC(OB1B1OC(CC(O1)(C)C)C)(C)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.5242
LogD (pH = 7.4)
4.5242
Log P
4.5242
Molar Refractivity
60.932
Polarizability
28.11265
Polar Surface Area
36.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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