Molecule

ID:78470

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉BO₂
Molecular Mass
182.06766
Exact Mass
182.14781025
Charge
0
InChI
InChI=1S/C10H19BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h6,8,12-13H,4-5,7H2,1-3H3
InChIKey
QPJWLDFYBBQYSG-UHFFFAOYSA-N
Canonic Smiles
OB(C1=CCC(CC1)C(C)(C)C)O
Isomeric Smiles
B(C1=CCC(CC1)C(C)(C)C)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4507
LogD (pH = 7.4)
2.4507
Log P
2.4507
Molar Refractivity
51.3528
Polarizability
21.406353
Polar Surface Area
40.46
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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