Molecule

ID:24649

General Information

Structure

MolImage

Molecular Formula

C₇H₁₃NO₂

Molecular Mass

143.18362

Exact Mass

143.09462866

Charge

0

InChI

InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)

InChIKey

BRSKDXVJFXXUKX-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CCN1CCCC1

Isomeric Smiles

C(=O)(CCN1CCCC1)O

Calculated Properties

JChem

Acid pKa

3.8457837

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.427168

LogD (pH = 7.4)

-2.420121

Log P

-2.4198172

Molar Refractivity

38.3131

Polarizability

14.9515705

Polar Surface Area

40.54

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