Molecule

ID:105736

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₉NaO₂

Molecular Mass

206.25713

Exact Mass

206.12827413

Charge

0

InChI

InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1

InChIKey

DKYPZNSPQXLRRQ-UHFFFAOYSA-M

Canonic Smiles

C=CCCCCCCCCC(=O)[O-].[Na+]

Isomeric Smiles

[Na+].[O-]C(=O)CCCCCCCCC=C

Calculated Properties

JChem

Acid pKa

5.0211167

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.1267557

LogD (pH = 7.4)

1.3787246

Log P

3.7297513

Molar Refractivity

64.9598

Polarizability

21.147709

Polar Surface Area

40.13

Rotatable Bonds

9

Lipinski's Rule of Five

true

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