Molecule

ID:3242

General Information

Structure

MolImage

Molecular Formula

C₃H₅NO₂

Molecular Mass

87.0773

Exact Mass

87.03202841

Charge

0

InChI

InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)

InChIKey

FPOLWERNILTNDK-UHFFFAOYSA-N

Canonic Smiles

NC(=O)C(=O)C

Isomeric Smiles

CC(=O)C(=O)N

Calculated Properties

JChem

Acid pKa

13.775173

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.74106866

LogD (pH = 7.4)

-0.7410685

Log P

-0.74106866

Molar Refractivity

19.8119

Polarizability

7.6377726

Polar Surface Area

60.16

Rotatable Bonds

1

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.13

LOG S

0.28

Solubility (Water)

1.65e+02 g/l

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

References

Bioactivity