Molecule
ID:107177
General Information
Molecular Formula
C₁₀H₂₂O₂
Molecular Mass
174.28048
Exact Mass
174.16197994
Charge
0
InChI
InChI=1S/C10H22O2/c1-5-9(6-2)10(12)7(3)8(4)11/h7-12H,5-6H2,1-4H3
InChIKey
KIVFFJJOSJSITG-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(C(O)C)C)O)CC
Isomeric Smiles
CCC(CC)C(O)C(C)C(C)O
Calculated Properties
JChem
Acid pKa
14.521881
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9403868
LogD (pH = 7.4)
1.9403868
Log P
1.9403868
Molar Refractivity
50.870598
Polarizability
20.385025
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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