Molecule

ID:64671

General Information

Structure

MolImage

Molecular Formula

C₇H₃Cl₂N₃

Molecular Mass

200.02482

Exact Mass

198.97040247

Charge

0

InChI

InChI=1S/C7H3Cl2N3/c8-6-4-1-2-10-3-5(4)7(9)12-11-6/h1-3H

InChIKey

LMVNXZZDBBSCSG-UHFFFAOYSA-N

Canonic Smiles

Clc1nnc(c2c1cncc2)Cl

Isomeric Smiles

c12c(nnc(c1ccnc2)Cl)Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.1951504

LogD (pH = 7.4)

1.1960402

Log P

1.1960515

Molar Refractivity

49.7899

Polarizability

19.102253

Polar Surface Area

38.67

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