Molecule

ID:45970

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃NO

Molecular Mass

115.17352

Exact Mass

115.09971404

Charge

0

InChI

InChI=1S/C6H13NO/c1-2-3-8-6-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

QTINDJCUYRJBAY-UHFFFAOYSA-N

Canonic Smiles

CCCOC1CNC1

Isomeric Smiles

N1CC(C1)OCCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.427597

LogD (pH = 7.4)

-0.85527074

Log P

0.5277185

Molar Refractivity

32.7107

Polarizability

13.269628

Polar Surface Area

21.26

Rotatable Bonds

3

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