Molecule

ID:24406

General Information

Structure

MolImage

Molecular Formula

C₆H₁₆N₂O

Molecular Mass

132.20404

Exact Mass

132.12626314

Charge

0

InChI

InChI=1S/C6H16N2O/c1-9-6-5-8-4-2-3-7/h8H,2-7H2,1H3

InChIKey

LCVKUHWARTYVOZ-UHFFFAOYSA-N

Canonic Smiles

NCCCNCCOC

Isomeric Smiles

N(CCCN)CCOC

Calculated Properties

JChem

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-6.860081

LogD (pH = 7.4)

-4.8389125

Log P

-0.97687805

Molar Refractivity

38.5521

Polarizability

15.5262

Polar Surface Area

47.28

Rotatable Bonds

6

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