Molecule

ID:91069

General Information

Structure

Molecular Formula

C₆H₇ClN₂

Molecular Mass

142.58618

Exact Mass

142.02977591

Charge

0

InChI

InChI=1S/C6H7ClN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2

InChIKey

GHGPIPTUDQZJJS-UHFFFAOYSA-N

Canonic Smiles

NNc1ccccc1Cl

Isomeric Smiles

N(c1c(cccc1)Cl)N

Calculated Properties

JChem

Acid pKa

18.326193

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

1.8299513

LogD (pH = 7.4)

1.9668754

Log P

1.9689331

Molar Refractivity

40.5695

Polarizability

14.761311

Polar Surface Area

38.05

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