Molecule

ID:68177

General Information

Structure

MolImage

Molecular Formula

C₅H₁₁NO₂

Molecular Mass

117.14634

Exact Mass

117.0789786

Charge

0

InChI

InChI=1S/C5H11NO2/c7-4-5-3-6-1-2-8-5/h5-7H,1-4H2

InChIKey

VLAZLCVSFAYIIL-UHFFFAOYSA-N

Canonic Smiles

OCC1CNCCO1

Isomeric Smiles

C(O)C1CNCCO1

Calculated Properties

JChem

Acid pKa

14.636797

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-3.550191

LogD (pH = 7.4)

-1.815999

Log P

-1.0417138

Molar Refractivity

29.7304

Polarizability

12.073888

Polar Surface Area

41.49

Rotatable Bonds

1

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