Molecule

ID:67386

General Information

Structure

MolImage

Molecular Formula

C₃H₅NO₂

Molecular Mass

87.0773

Exact Mass

87.03202841

Charge

0

InChI

InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2-

InChIKey

OVGLVOLWBBGQHS-RQOWECAXSA-N

Canonic Smiles

CC(=O)/C=N\O

Isomeric Smiles

C(=N\O)\C(=O)C

Calculated Properties

JChem

Acid pKa

6.198648

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

0.12653902

LogD (pH = 7.4)

-0.99433994

Log P

0.20543027

Molar Refractivity

20.8728

Polarizability

7.8280125

Polar Surface Area

49.66

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