Molecule

ID:67434

General Information

Structure

MolImage

Molecular Formula

C₅H₂Cl₂N₂O₂

Molecular Mass

192.98758

Exact Mass

191.94933267

Charge

0

InChI

InChI=1S/C5H2Cl2N2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H

InChIKey

JGZHZSXAYXXCFB-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1c(Cl)cncc1Cl

Isomeric Smiles

c1c(c(c(cn1)Cl)[N+](=O)[O-])Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.903647

LogD (pH = 7.4)

1.903647

Log P

1.903647

Molar Refractivity

39.8312

Polarizability

15.401794

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