Molecule

ID:70956

General Information

Structure

MolImage

Molecular Formula

C₆H₂Cl₂N₂

Molecular Mass

172.99948

Exact Mass

171.95950343

Charge

0

InChI

InChI=1S/C6H2Cl2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H

InChIKey

OQYZEFBWEXEOPL-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(Cl)ccnc1Cl

Isomeric Smiles

c1(c(c(ccn1)Cl)C#N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.039936

LogD (pH = 7.4)

2.039936

Log P

2.039936

Molar Refractivity

40.2936

Polarizability

15.196678

Polar Surface Area

36.68

Rotatable Bonds

0

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