Molecule

ID:110515

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O₄
Molecular Mass
244.32726
Exact Mass
244.16745925
Charge
0
InChI
InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKey
DXNCZXXFRKPEPY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.23
LogD (pH = 5.5)
2.29
Log P
3.60
Rotatable Bonds
12
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.65
Polar Surface Area
74.60
Polarizability
28.99
Molar Refractivity
64.95
LOG S
-3.51
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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