Molecule

ID:129990

General Information

Structure

MolImage

Molecular Formula

C₈H₂₀NO+

Molecular Mass

146.2505

Exact Mass

146.15448927

Charge

1

InChI

InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1

InChIKey

GZBUMTPCIKCWFW-UHFFFAOYSA-N

Canonic Smiles

OCC[N+](CC)(CC)CC

Isomeric Smiles

CC[N+](CC)(CC)CCO

Calculated Properties

JChem

Acid pKa

13.967586

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-3.5918453

LogD (pH = 7.4)

-3.5918431

Log P

-3.5918453

Molar Refractivity

56.4398

Polarizability

17.548082

Polar Surface Area

20.23

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