Molecule

ID:36967

General Information

Structure

Molecular Formula

C₆H₇ClN₂

Molecular Mass

142.58618

Exact Mass

142.02977591

Charge

0

InChI

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

InChIKey

URNJJUZDJRFLQW-UHFFFAOYSA-N

Canonic Smiles

CNc1ncccc1Cl

Isomeric Smiles

c1cnc(c(c1)Cl)NC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.3235427

LogD (pH = 7.4)

1.4253747

Log P

1.4268538

Molar Refractivity

39.2132

Polarizability

14.307268

Polar Surface Area

24.92

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