Molecule

ID:68315

General Information

Structure

MolImage

Molecular Formula

C₅HCl₂N₃

Molecular Mass

173.98754

Exact Mass

172.95475241

Charge

0

InChI

InChI=1S/C5HCl2N3/c6-4-2-9-3(1-8)5(7)10-4/h2H

InChIKey

SDTCGHLDTSGIRR-UHFFFAOYSA-N

Canonic Smiles

Clc1nc(Cl)cnc1C#N

Isomeric Smiles

c1(c(nc(cn1)Cl)Cl)C#N

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.4282912

LogD (pH = 7.4)

1.4282912

Log P

1.4282912

Molar Refractivity

38.826

Polarizability

14.454615

Polar Surface Area

49.57

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