Molecule

ID:88835

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅BO₂
Molecular Mass
154.0145
Exact Mass
154.11651012
Charge
0
InChI
InChI=1S/C8H15BO2/c1-8(2)5-3-7(4-6-8)9(10)11/h3,10-11H,4-6H2,1-2H3
InChIKey
HWFBGGLUEZIDOE-UHFFFAOYSA-N
Canonic Smiles
OB(C1=CCC(CC1)(C)C)O
Isomeric Smiles
B(C1=CCC(CC1)(C)C)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7238775
LogD (pH = 7.4)
1.7221197
Log P
1.7239
Molar Refractivity
42.2032
Polarizability
17.718325
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
9.784025
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
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References
Bioactivity
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