Molecule

ID:133637

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₃
Molecular Mass
160.21084
Exact Mass
160.10994437
Charge
0
InChI
InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKey
NDPLAKGOSZHTPH-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(CC(=O)O)O
Isomeric Smiles
CCCCCC(CC(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.05
LogD (pH = 5.5)
0.72
Log P
1.47
Rotatable Bonds
6
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.84
Polar Surface Area
57.53
Polarizability
17.92
Molar Refractivity
41.79
LOG S
-1.58
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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