Molecule

ID:109448

General Information

Structure

Molecular Formula

C₆H₃Cl₂N₂NaO

Molecular Mass

212.99659

Exact Mass

211.95201237

Charge

0

InChI

InChI=1S/C6H4Cl2N2O.Na/c7-4-1-2-5(8)6(3-4)9-10-11;/h1-3H,(H,9,11);/q;+1/p-1

InChIKey

AFOINDWJBKIFCC-UHFFFAOYSA-M

Canonic Smiles

[O-]/N=N/c1cc(Cl)ccc1Cl.[Na+]

Isomeric Smiles

[Na+].[O-]/N=N/c1c(Cl)ccc(Cl)c1

Calculated Properties

JChem

Acid pKa

9.94402

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

3.702397

LogD (pH = 7.4)

3.7011786

Log P

3.7024126

Molar Refractivity

45.9552

Polarizability

16.237024

Polar Surface Area

47.78

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity