Molecule

ID:109324

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₃
Molecular Mass
160.21084
Exact Mass
160.10994437
Charge
0
InChI
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKey
JKRDADVRIYVCCY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C(=O)O)O
Isomeric Smiles
CCCCCCC(O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.04
LogD (pH = 5.5)
0.72
Log P
1.83
Rotatable Bonds
6
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.42
Polar Surface Area
57.53
Polarizability
18.01
Molar Refractivity
41.77
LOG S
-2.19
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation