Molecule

ID:135115

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁KO₂
Molecular Mass
310.39691741
Exact Mass
310.24978932
Charge
0
InChI
InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1;
InChIKey
MQOCIYICOGDBSG-SJIUKAAASA-M
Canonic Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)[O-].[K+]
Isomeric Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.600777
LogD (pH = 7.4)
3.8416421
Log P
6.2565827
Molar Refractivity
87.9207
Polarizability
30.60571
Polar Surface Area
40.13
Rotatable Bonds
14
Lipinski's Rule of Five
false
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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