Molecule

ID:50834

General Information

Structure

MolImage

Molecular Formula

C₆H₄ClN₃

Molecular Mass

153.56906

Exact Mass

153.00937482

Charge

0

InChI

InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H

InChIKey

WEPRLWNMBTYGGD-UHFFFAOYSA-N

Canonic Smiles

Clc1ccn2c(n1)ccn2

Isomeric Smiles

c12nc(ccn1ncc2)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.4771668

LogD (pH = 7.4)

1.4771941

Log P

1.4771944

Molar Refractivity

49.6397

Polarizability

14.372564

Polar Surface Area

30.19

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