Molecule

ID:19129

General Information

Structure

MolImage

Molecular Formula

C₆H₃ClN₂

Molecular Mass

138.55442

Exact Mass

137.99847579

Charge

0

InChI

InChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

InChIKey

VHVCXRPJVSZARD-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(cnc1)C#N

Isomeric Smiles

c1c(cc(cn1)Cl)C#N

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.2157137

LogD (pH = 7.4)

1.2157142

Log P

1.2157142

Molar Refractivity

34.4275

Polarizability

13.171655

Polar Surface Area

36.68

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

No Data Available

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Molecule Details

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References

Bioactivity