Molecule

ID:4090

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.51
LogD (pH = 5.5)
2.22
Log P
2.70
Rotatable Bonds
6
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.19
Polar Surface Area
37.30
Polarizability
17.40
Molar Refractivity
40.28
LOG S
-2.48
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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