Molecule

ID:111051

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃KO₂
Molecular Mass
238.40812
Exact Mass
238.13351166
Charge
0
InChI
InChI=1S/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
InChIKey
HIDKSOTTZRMUML-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCC(=O)[O-].[K+]
Isomeric Smiles
[K+].CCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8225026
LogD (pH = 7.4)
2.0633676
Log P
4.478308
Molar Refractivity
69.5167
Polarizability
23.230707
Polar Surface Area
40.13
Rotatable Bonds
10
Lipinski's Rule of Five
true
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