Molecule

ID:69999

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁BO₂
Molecular Mass
208.10494
Exact Mass
208.16346031
Charge
0
InChI
InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3
InChIKey
QNZFUMVTUFOLRT-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)C1=CCCCC1
Isomeric Smiles
O1B(OC(C1(C)C)(C)C)C1=CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2208
LogD (pH = 7.4)
3.2208
Log P
3.2208
Molar Refractivity
58.2891
Polarizability
24.50942
Polar Surface Area
18.46
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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