Molecule

ID:79684

General Information

Structure

Molecular Formula

C₈H₄Cl₃N

Molecular Mass

220.48306

Exact Mass

218.94093217

Charge

0

InChI

InChI=1S/C8H4Cl3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H

InChIKey

GBKJYWAWSNXSIQ-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccccc1C(Cl)(Cl)Cl

Isomeric Smiles

N#Cc1ccccc1C(Cl)(Cl)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.3272502

LogD (pH = 7.4)

3.3272502

Log P

3.3272502

Molar Refractivity

52.2577

Polarizability

19.590778

Polar Surface Area

23.79

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity