Molecule

ID:64650

General Information

Structure

Molecular Formula

C₆H₃Cl₂N₃

Molecular Mass

188.01412

Exact Mass

186.97040247

Charge

0

InChI

InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H

InChIKey

JMTFWCYVZOFHLR-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(Cl)n2c(n1)ccn2

Isomeric Smiles

n12c(nc(cc1Cl)Cl)ccn2

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.7962306

LogD (pH = 7.4)

1.7962495

Log P

1.7962497

Molar Refractivity

54.4456

Polarizability

16.371489

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