Molecule

ID:123293

General Information

Structure

MolImage

Molecular Formula

C₃H₇NO₂

Molecular Mass

89.09318

Exact Mass

89.04767847

Charge

0

InChI

InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)

InChIKey

RSIPQHOWTCNEBI-UHFFFAOYSA-N

Canonic Smiles

CCC(=O)NO

Isomeric Smiles

C(=O)(NO)CC

Calculated Properties

JChem

Acid pKa

8.910467

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-0.33310217

LogD (pH = 7.4)

-0.34607527

Log P

-0.3329342

Molar Refractivity

20.8574

Polarizability

8.1675

Polar Surface Area

49.33

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity