Molecule

ID:22283

General Information

Structure

MolImage

Molecular Formula

C₆H₅FN₂O₂

Molecular Mass

156.1145032

Exact Mass

156.03350563

Charge

0

InChI

InChI=1S/C6H5FN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3

InChIKey

NSKQWXVTBOPEMH-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cnc(cc1C)F

Isomeric Smiles

c1(cnc(cc1C)F)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.7456115

LogD (pH = 7.4)

1.7456115

Log P

1.7456115

Molar Refractivity

36.4939

Polarizability

12.922443

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

No Data Available

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Molecule Details

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References

Bioactivity