Molecule

ID:63138

General Information

Structure

MolImage

Molecular Formula

C₅H₆ClN₃

Molecular Mass

143.57424

Exact Mass

143.02502489

Charge

0

InChI

InChI=1S/C5H6ClN3/c6-3-1-2-9-5(8)4(3)7/h1-2H,7H2,(H2,8,9)

InChIKey

APGDUAJEMRMIJU-UHFFFAOYSA-N

Canonic Smiles

Nc1c(Cl)ccnc1N

Isomeric Smiles

c1cnc(N)c(N)c1Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.27137378

LogD (pH = 7.4)

0.28034613

Log P

0.2962237

Molar Refractivity

38.4202

Polarizability

13.628364

Polar Surface Area

64.93

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

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Molecule Details

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References

Bioactivity