Molecule

ID:95117

General Information

Structure

MolImage

Molecular Formula

C₅H₂ClFN₂O₂

Molecular Mass

176.5329832

Exact Mass

175.97888321

Charge

0

InChI

InChI=1S/C5H2ClFN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H

InChIKey

QYRFYYRMUFOIKW-UHFFFAOYSA-N

Canonic Smiles

Clc1cnc(c(c1)[N+](=O)[O-])F

Isomeric Smiles

n1c(c(cc(c1)Cl)[N+](=O)[O-])F

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.8362348

LogD (pH = 7.4)

1.8362348

Log P

1.8362348

Molar Refractivity

36.2575

Polarizability

13.214275

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