Molecule

ID:112219

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₅BO₃
Molecular Mass
286.2583
Exact Mass
286.26792538
Charge
0
InChI
InChI=1S/C16H35BO3/c1-4-7-10-13-16(20-17(18)19,14-11-8-5-2)15-12-9-6-3/h18-19H,4-15H2,1-3H3
InChIKey
KCYLPHQSJCNOSJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(OB(O)O)(CCCCC)CCCCC
Isomeric Smiles
CCCCCC(CCCCC)(CCCCC)OB(O)O
Calculated Properties
JChem
Acid pKa
8.761591
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
6.0253634
LogD (pH = 7.4)
6.0072136
Log P
6.0256
Molar Refractivity
80.9627
Polarizability
34.120556
Polar Surface Area
49.69
Rotatable Bonds
14
Lipinski's Rule of Five
false
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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