Molecule

ID:57509

General Information

Structure

MolImage

Molecular Formula

C₄H₉NO₂

Molecular Mass

103.11976

Exact Mass

103.06332853

Charge

0

InChI

InChI=1S/C4H9NO2/c1-5(2)4(7)3-6/h6H,3H2,1-2H3

InChIKey

JNQVLKWNKVMFBN-UHFFFAOYSA-N

Canonic Smiles

OCC(=O)N(C)C

Isomeric Smiles

N(C(=O)CO)(C)C

Calculated Properties

JChem

Acid pKa

13.635126

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.4001843

LogD (pH = 7.4)

-1.4001845

Log P

-1.4001843

Molar Refractivity

25.9615

Polarizability

9.982835

Polar Surface Area

40.54

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