Molecule

ID:135396

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
145.20409484
Exact Mass
145.11838459
Charge
0
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1+1
InChIKey
WWZKQHOCKIZLMA-OUBTZVSYSA-N
Canonic Smiles
[13CH3]CCCCCCC(=O)O
Isomeric Smiles
[13CH3]CCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
5.192975
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2191668
LogD (pH = 7.4)
0.510514
Log P
2.7000334
Molar Refractivity
40.2756
Polarizability
15.977569
Polar Surface Area
37.3
Rotatable Bonds
6
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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