Molecule

ID:126073

General Information

Structure

MolImage

Molecular Formula

C₆H₅ClN₂

Molecular Mass

140.5703

Exact Mass

140.01412585

Charge

0

InChI

InChI=1S/C6H5N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1

InChIKey

CLRSZXHOSMKUIB-UHFFFAOYSA-M

Canonic Smiles

N#[N+]c1ccccc1.[Cl-]

Isomeric Smiles

[Cl-].N#[N+]c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.8097394

LogD (pH = 7.4)

1.8097394

Log P

1.8097394

Molar Refractivity

51.7041

Polarizability

11.641654

Polar Surface Area

28.15

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity