Molecule

ID:79940

General Information

Structure

MolImage

Molecular Formula

C₈H₇ClN₂

Molecular Mass

166.60758

Exact Mass

166.02977591

Charge

0

InChI

InChI=1S/C8H7ClN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3

InChIKey

KTULONOQBDLTCJ-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc2c1cnn2C

Isomeric Smiles

n1(c2cccc(c2cn1)Cl)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.0240185

LogD (pH = 7.4)

2.0240283

Log P

2.0240285

Molar Refractivity

56.0939

Polarizability

18.276659

Polar Surface Area

17.82

Rotatable Bonds

0

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