Molecule

ID:67735

General Information

Structure

Molecular Formula

C₇H₃Cl₂N₃

Molecular Mass

200.02482

Exact Mass

198.97040247

Charge

0

InChI

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

InChIKey

UVVFNZJVLRJSMW-UHFFFAOYSA-N

Canonic Smiles

Clc1nc2cccnc2c(n1)Cl

Isomeric Smiles

c1(nc2c(c(n1)Cl)nccc2)Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

2.3260095

LogD (pH = 7.4)

2.3260126

Log P

2.3260126

Molar Refractivity

47.6363

Polarizability

19.148554

Polar Surface Area

38.67

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

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References

Bioactivity