Molecule

ID:13461

General Information

Structure

MolImage

Molecular Formula

C₆H₁₅NO

Molecular Mass

117.1894

Exact Mass

117.11536411

Charge

0

InChI

InChI=1S/C6H15NO/c1-3-7-5-6-8-4-2/h7H,3-6H2,1-2H3

InChIKey

HDWAEDOMCNQUSW-UHFFFAOYSA-N

Canonic Smiles

CCNCCOCC

Isomeric Smiles

CCNCCOCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.7290332

LogD (pH = 7.4)

-1.8400309

Log P

0.47376192

Molar Refractivity

35.2341

Polarizability

14.000582

Polar Surface Area

21.26

Rotatable Bonds

5

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