Molecule

ID:8869

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₃
Molecular Mass
160.21084
Exact Mass
160.10994437
Charge
0
InChI
InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
InChIKey
KDMSVYIHKLZKET-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCC(=O)O
Isomeric Smiles
OCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.22
LogD (pH = 5.5)
0.55
Log P
1.26
Rotatable Bonds
7
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.87
Polar Surface Area
57.53
Polarizability
18.40
Molar Refractivity
42.20
LOG S
-0.82
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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