Molecule

ID:95149

General Information

Structure

Molecular Formula

C₅H₃FN₂O₂

Molecular Mass

142.0879232

Exact Mass

142.01785557

Charge

0

InChI

InChI=1S/C5H3FN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H

InChIKey

BOGKTBKWDIUAGK-UHFFFAOYSA-N

Canonic Smiles

Fc1nccc(c1)[N+](=O)[O-]

Isomeric Smiles

n1c(cc(cc1)[N+](=O)[O-])F

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.2321901

LogD (pH = 7.4)

1.2321901

Log P

1.2321901

Molar Refractivity

31.4527

Polarizability

11.196993

Polar Surface Area

56.03

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