Molecule

ID:131569

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NaO₃
Molecular Mass
252.32557
Exact Mass
252.17013894
Charge
0
InChI
InChI=1S/C13H26O3.Na/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15;/h2-12H2,1H3,(H,14,15);/q;+1/p-1
InChIKey
BUMWFKAGNDTRQS-UHFFFAOYSA-M
Canonic Smiles
COCCCCCCCCCCCC(=O)[O-].[Na+]
Isomeric Smiles
COCCCCCCCCCCCC(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0289505
LogD (pH = 7.4)
1.2698154
Log P
3.684756
Molar Refractivity
76.1966
Polarizability
25.766123
Polar Surface Area
49.36
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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