Molecule

ID:22258

General Information

Structure

Molecular Formula

C₆H₅FN₂O₂

Molecular Mass

156.1145032

Exact Mass

156.03350563

Charge

0

InChI

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

InChIKey

JVLRFRZVCOWBDY-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1ccc(nc1C)F

Isomeric Smiles

c1(c(nc(cc1)F)C)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.3635603

LogD (pH = 7.4)

1.3635603

Log P

1.3635603

Molar Refractivity

37.0484

Polarizability

12.923938

Polar Surface Area

58.71

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