Molecule

ID:136991

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇BO₃
Molecular Mass
229.353917
Exact Mass
229.20895672
Charge
0
InChI
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3/i13-1
InChIKey
LGQXXHMEBUOXRP-HSGWXFLFSA-N
Canonic Smiles
CCCCO[10B](OCCCC)OCCCC
Isomeric Smiles
[10B](OCCCC)(OCCCC)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.2973
LogD (pH = 7.4)
5.2973
Log P
5.2973
Molar Refractivity
62.7615
Polarizability
26.89286
Polar Surface Area
27.69
Rotatable Bonds
12
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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