Molecule

ID:69722

General Information

Structure

Molecular Formula

C₆H₇ClN₂

Molecular Mass

142.58618

Exact Mass

142.02977591

Charge

0

InChI

InChI=1S/C6H7ClN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)

InChIKey

GLKVMXXYMNTCJX-UHFFFAOYSA-N

Canonic Smiles

Nc1c(C)cncc1Cl

Isomeric Smiles

c1c(c(c(cn1)C)N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.08333908

LogD (pH = 7.4)

0.6635763

Log P

1.0441135

Molar Refractivity

38.4475

Polarizability

14.23011

Polar Surface Area

38.91

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

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Molecule Details

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References

Bioactivity