Molecule

ID:125810

General Information

Structure

MolImage

Molecular Formula

C₆H₁₆N₂O₄

Molecular Mass

180.20224

Exact Mass

180.111007

Charge

0

InChI

InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3

InChIKey

ZRSKSQHEOZFGLJ-UHFFFAOYSA-N

Canonic Smiles

[O-]C(=O)CCCCC(=O)[O-].[NH4+].[NH4+]

Isomeric Smiles

[O-]C(=O)CCCCC(=O)[O-].[NH4+].[NH4+]

Calculated Properties

JChem

Acid pKa

3.9174685

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-1.9542978

LogD (pH = 7.4)

-5.3871665

Log P

0.49065435

Molar Refractivity

54.4132

Polarizability

12.73627

Polar Surface Area

80.26

Rotatable Bonds

5

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity